SCHEMBL7745287

SCHEMBL7745287

COCCCNc1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
KCNH3 Q9ULD8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCF1 P14598 1/20 0.43
CHRM2 P08172 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
POLB P06746 2/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1421397 0.95 PTGER4 (0.47) PTGER4KCNH3SMN1; SMN2HSD17B10HTT
SCHEMBL742957 0.89 PTGER4 (0.54) PTGER4KCNH3SMN1; SMN2HTTMAPT
Hydrochloric Acid SCHEMBL11314258 0.87 PTGER4 (0.53) PTGER4KCNH3SMN1; SMN2HTTMAPT
SCHEMBL8315512 0.83 SMN1; SMN2 (0.47) PTGER4SMN1; SMN2HSD17B10HTTMAPT
SCHEMBL18394468 0.83 PTGER4 (0.46) PTGER4KCNH3SMN1; SMN2HTTMAPT
SCHEMBL867417 0.82 PRSS1 (0.47) SMN1; SMN2HSD17B10HTTMAPTALDH1A1
SCHEMBL215272 0.82 HDAC3 (0.50) SMN1; SMN2HSD17B10HTTMAPTCHRM2
SCHEMBL6247309 0.81 HDAC3 (0.53) SMN1; SMN2HSD17B10MAPTCHRM2ALDH1A1
SCHEMBL8720375 0.81 HDAC3 (0.53) SMN1; SMN2HSD17B10MAPTCHRM2ALDH1A1
SCHEMBL9977872 0.80 BACE1 (0.50) PTGER4KCNH3SMN1; SMN2HSD17B10HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed