SCHEMBL7962786

SCHEMBL7962786

COc1c(C#N)c2n(c1-c1cccnc1)CCC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.41
SQOR Q9Y6N5 1/20 0.39
KDM4E B2RXH2 6/20 0.38
RXFP1 Q9HBX9 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GLA P06280 2/20 0.38
CYP11B1 P15538 3/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 1/20 0.37
DYRK1A Q13627 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
NPC1 O15118 1/20 0.36
ADORA1 P30542 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7952723 0.88 CYP11B2 (0.43) CYP11B2KDM4ERXFP1GLACYP11B1
SCHEMBL7961492 0.85 CYP11B2 (0.43) CYP11B2KDM4ERXFP1CYP11B1MAOA
SCHEMBL2158233 0.82 CYP11B2 (0.42) CYP11B2KDM4ERXFP1GLACYP11B1
SCHEMBL7964071 0.82 CYP11B2 (0.39) CYP11B2SQORCYP11B1MAPK1CYP3A4
SCHEMBL7962090 0.82 CYP11B2 (0.39) CYP11B2KDM4ERXFP1GLACYP11B1
SCHEMBL7962951 0.80 CYP11B2 (0.37) CYP11B2CYP11B1HTTCYP3A4CYP19A1
SCHEMBL7961877 0.80 CYP11B2 (0.40) CYP11B2KDM4ERXFP1GLACYP11B1
SCHEMBL8327786 0.80 CYP11B2 (0.37) CYP11B2CYP11B1HTTCYP3A4CYP19A1
SCHEMBL7964018 0.79 GABRA1 (0.40) CYP11B2CYP11B1POLBMAPK1CYP3A4
SCHEMBL7962850 0.79 MKNK1 (0.41) CYP11B2CYP11B1CYP3A4CYP19A1CYP1A2

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed