SCHEMBL8685703

SCHEMBL8685703

OCc1ccc2ccn(CCc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.51
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
POLB P06746 2/20 0.42
HTR6 P50406 1/20 0.42
RORC P51449 1/20 0.42
KMO O15229 1/20 0.41
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
HSD17B10 Q99714 2/20 0.41
BACE1 P56817 1/20 0.39
HTR1D P28221 1/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HTR7 P34969 1/20 0.39
TSHR P16473 2/20 0.38
ADA P00813 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27324368 0.82 NOS1 (0.52) NOS1POLBRORCKMOHSD17B10
SCHEMBL1122491 0.80 NOS1 (0.52) NOS1CDK4CCND1HTR6HTR1D
SCHEMBL6953900 0.80 HTR7 (0.47) CDK4CCND1KMOHTR1DHTR7
SCHEMBL3195575 0.79 CDK4 (0.70) CDK4CCND1HTR6HSD17B10HTT
SCHEMBL29382442 0.79 CDK4 (0.70) CDK4CCND1HTR6HSD17B10HTT
SCHEMBL8685570 0.77 CYP2A6 (0.53) NOS1CDK4CCND1HTR6KMO
SCHEMBL11977071 0.76 MCL1 (0.46) NOS1CDK4CCND1KMOHSD17B10
SCHEMBL1608518 0.75 HDAC6 (0.56) NOS1
SCHEMBL4248655 0.75 NOS1 (0.46) NOS1CDK4CCND1POLBHTR6
SCHEMBL15687070 0.75 FFAR1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed