SCHEMBL7953497

SCHEMBL7953497

COc1c(C#N)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.42
ABCC1 P33527 1/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
GLA P06280 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CYP11B1 P15538 2/20 0.38
MAOA P21397 1/20 0.38
PTGS2 P35354 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
DYRK1A Q13627 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL7587234 0.85 ABCC1 (0.44) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7590017 0.84 CYP11B2 (0.44) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7954850 0.83 ABCC1 (0.43) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL2158205 0.82 KDM4E (0.45) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7953813 0.82 ABCC1 (0.43) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7955035 0.81 ABCC1 (0.43) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7946473 0.81 ABCC1 (0.43) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7953612 0.79 ABCC1 (0.41) CYP11B2ABCC1KDM4EALDH1A1HSD17B10
SCHEMBL7953523 0.79 KMT2A (0.44) CYP11B2ALDH1A1HTTCYP11B1MAPT
SCHEMBL7964696 0.78 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed