SCHEMBL212831

SCHEMBL212831

c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 4/20 0.65
TXN P10599 1/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 3/20 0.51
FBP1 P09467 2/20 0.51
ALOX15 P16050 2/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
MC5R P33032 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL29351180 1.00 CYP1A2 (0.65) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11536996 0.98 CYP1A2 (0.63) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL9861776 0.93 CYP1A2 (0.58) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL9694295 0.90 CYP1A2 (0.55) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL6678044 0.88 CYP1A2 (0.65) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11295898 0.86 CYP1A2 (0.62) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11753237 0.86 TXN (0.64) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL8462668 0.85 ALDH1A1 (0.70) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11683131 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD
SCHEMBL11683039 0.83 CYP1A2 (0.60) CYP1A2CYP2D6TXNALDH1A1HPGD

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

Appears in 4851 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747302-A2 REPAIR AND OPTIMIZATION OF NANOCOMPOSITE MATERIALS Nanocore ApS (DK) 2026-05-27 EP claimed
US-12624198-B2 Rubber composition, processing method thereof, and rubber product using the same HANGZHOU XINGLU TECHNOLOGIES CO., LTD (CN) 2026-05-12 US claimed
EP-4719411-A2 QUINOLINEAMINE AND PYRIDOQUINOLINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF Flexsys IP Holdings, LLC (US) 2026-04-08 EP claimed
EP-4704835-A2 ANTIDEGRADANT BIS(DIHYDRO AND TETRAHYDROQUINOLINE) COMPOUNDS AND USES THEREOF Flexsys IP Holdings, LLC (US) 2026-03-11 EP claimed
EP-4687882-A2 6-AMINOQUINOLINE ANTIDEGRADANTS Flexsys IP Holdings, LLC (US) 2026-02-11 EP claimed
EP-4687881-A2 HETEROARYL ANTIDEGRADANTS Flexsys IP Holdings, LLC (US) 2026-02-11 EP claimed
EP-4685180-A1 DISPERSION AND USE THEREOF Continental Reifen Deutschland GmbH (DE) 2026-01-28 EP claimed
EP-4676471-A2 QUINOLINEIMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF Flexsys IP Holdings, LLC (US) 2026-01-14 EP claimed
US-12516181-B2 Sulphur-crosslinked rubber mixture and vehicle tire CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2026-01-06 US claimed
US-12461871-B2 Device control block scan for channel recovery actions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2025-11-04 US claimed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP claimed
EP-0109955-A2 Rubber/metal composites MONSANTO EUROPE S.A./N.V. (BE) 1984-05-30 EP claimed
US-4430466-A Benzothiazyl sulfenamides as scorch retardants for mercaptosilane-coupled silica filled-rubber compounds PHILLIPS PETROLEUM COMPANY (US) 1984-02-07 US claimed
EP-0021028-B1 METHOD OF PRODUCING A WATER-PERMEABLE SURFACING FOR PLAY AND/OR SPORTS GROUNDS CHEMISCHE WERKE HÜLS AG (DE) 1983-09-21 EP claimed
US-4248985-A Sulfur-curable acrylic rubber composition NIPPON ZEON CO., LTD. (JP) 1981-02-03 US claimed
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-4209596-A Two step process for producing vulcanized rubber MITSUBOSHI BELTING, LTD. (JP) 1980-06-24 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
US-4012332-A BENZOTHIAZOLE SULFENAMIDE, A THIURAM SULFIDE OR METAL DITHIOCARBAMATE, COPPER 2-MERCAPTOBENZOTHIAZOLE AMERICAN CYANAMID COMPANY (US) 1977-03-15 US claimed