SCHEMBL7937072

SCHEMBL7937072

CC1CN(NSc2nc3ccccc3s2)CC(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 6/20 0.56
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 5/20 0.45
ALOX15 P16050 2/20 0.45
FBP1 P09467 2/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
MC5R P33032 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
CCR2 P41597 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDK1 Q15118 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11453732 0.81 ALDH1A1 (0.56) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL79799 0.80 ALDH1A1 (0.62) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL30423602 0.80 ALDH1A1 (0.62) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL4611904 0.80 ALDH1A1 (0.64) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL11464463 0.80 ALDH1A1 (0.58) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL11455872 0.80 ALDH1A1 (0.58) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL11872299 0.78 ALDH1A1 (0.60) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL11453543 0.77 ALDH1A1 (0.49) ALDH1A1HPGDTDP1HSD17B10ALOX15
2-Mercaptobenzothiazole SCHEMBL10987039 0.74 ALDH1A1 (0.56) ALDH1A1HPGDTDP1HSD17B10ALOX15
SCHEMBL10474784 0.71 ALDH1A1 (0.63) ALDH1A1HPGDTDP1HSD17B10ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229325-A VULCANIZABLE COPOLYMERS OR TERPOLYMERS, A SULFUR DONOR, A DELAYED ACTION ACCELERATOR; GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-10-21 US claimed
US-4215022-A GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-07-29 US claimed
US-4153584-A High molecular weight high unsaturation C4 -C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-08 US claimed
EP-0246745-B2 Elastomeric composition UNIROYAL CHEM CO INC (US) 2001-01-31 EP disclosed
EP-0344380-B1 Elastomeric composition having increased ozone resistance UNIROYAL CHEM CO INC (US) 1995-02-22 EP disclosed
EP-0246745-B1 Elastomeric composition UNIROYAL CHEM CO INC (US) 1995-02-15 EP disclosed
US-5118531-A Curable ethylene/propylene/nonconjugated diene terpolymer with ethyelne/propylene copolymer with vinylidene-type terminal unsaturation; automotive panels; high viscosity UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-06-02 US disclosed
EP-0212970-B1 INSULATING ADHESIVE TAPE COMPOSITION AND COMPOSITES THEREOF UNIROYAL CHEMICAL COMPANY, Inc. (US) 1991-07-17 EP disclosed
US-4960829-A CURABLE BLEND OF HIGH MOLECULAR WEIGHT POLYMER, ETHYLENE-ALPHA-OLEFIN-NONCONJUGATED POLYENE TERPOLYMER AND CURATIVE UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-10-02 US disclosed
US-4919976-A ADHERING AND CURING UNCURED EPDM TERPOLYMER, CURATIVE, AND BLOWING AGENT TO PANELS AND COOLING UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-04-24 US disclosed
EP-0344380-A2 Elastomeric composition having increased ozone resistance UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-12-06 EP disclosed
EP-0217524-A2 Sprayable and foamable insulating composition UNIROYAL CHEMICAL COMPANY, Inc. (US) 1987-04-08 EP disclosed
US-4229325-A VULCANIZABLE COPOLYMERS OR TERPOLYMERS, A SULFUR DONOR, A DELAYED ACTION ACCELERATOR; GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-10-21 US disclosed
US-4215022-A GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-07-29 US disclosed
US-4209515-A Triazole derivatives CIBA-GEIGY CORPORATION (US) 1980-06-24 US disclosed
US-4182873-A AMINATION OF MERCAPTO THIAZOLE OR DISULFIDE RHONE-POULENC S.A. (FR) 1980-01-08 US disclosed
US-4153584-A High molecular weight high unsaturation C4 -C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-08 US disclosed
US-4153773-A HIGH MOLECULAR WEIGHT EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-08 US disclosed
US-4151343-A High unsaturation butyl rubbers EXXON RESEARCH & ENGINEERING CO. (US) 1979-04-24 US disclosed
US-4139695-A High molecular weight high unsaturation C4-C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene EXXON RESEARCH & ENGINEERING CO. (US) 1979-02-13 US disclosed