SCHEMBL7952767

SCHEMBL7952767

COC1=CCCn2c1c(C#N)c(Cl)c2-c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 3/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 8/20 0.39
MAPT P10636 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
RXFP1 Q9HBX9 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7590184 0.75 CYP11B2 (0.46) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL7964663 0.75 CYP11B2 (0.41) CYP11B2CYP11B1MAOAKDM4EMAPT
SCHEMBL2158233 0.74 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKDM4ERXFP1
Hydrochloric Acid SCHEMBL7585391 0.74 CYP11B2 (0.45) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL2157283 0.74 CYP11B2 (0.44) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL2157245 0.72 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL2157391 0.72 CYP11B2 (0.40) CYP11B2CYP11B1MAOAKDM4EMAPT
SCHEMBL2158205 0.71 KDM4E (0.45) CYP11B2CYP11B1MAOAKDM4EKMT2A
SCHEMBL7592502 0.70 CYP11B2 (0.42) CYP11B2CYP11B1MAOAKDM4ERXFP1
SCHEMBL7962786 0.70 CYP11B2 (0.41) CYP11B2CYP11B1MAOAKDM4EMAPT

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-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