SCHEMBL11262062

SCHEMBL11262062

CCC1CSC(CCCn2ccnc2)(Cc2ccc(Br)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.47
NOS1 P29475 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 1/20 0.40
PRKCI P41743 1/20 0.37
FPR3 P25089 2/20 0.35
FPR2 P25090 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 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
SCHEMBL11271370 0.94 HMOX1 (0.44) HMOX1NOS1CYP19A1CYP11B1CYP11B2
SCHEMBL11270747 0.92 QPCT (0.41) HMOX1CYP19A1PRKCIKDM4ELMNA
SCHEMBL11262883 0.91 QPCT (0.42) HMOX1CYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11257172 0.90 CYP19A1 (0.40) HMOX1CYP19A1PRKCI
SCHEMBL11267577 0.90 CYP2A6 (0.41) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11250043 0.90 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2PRKCIKDM4E
SCHEMBL11257562 0.89 HMOX1 (0.50) HMOX1NOS1CYP19A1CYP11B1CYP11B2
SCHEMBL11255293 0.88 MEN1 (0.47) CYP19A1KDM4ELMNA
SCHEMBL11255306 0.88 HMOX1 (0.44) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11258691 0.87 NOS1 (0.44) HMOX1NOS1CYP19A1PRKCI

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed