SCHEMBL11264326

SCHEMBL11264326

CC1CSC(CCn2ccnc2)(Cc2ccc(Br)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPK1 P28482 2/20 0.43
NOS1 P29475 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 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
SCHEMBL11257562 0.94 HMOX1 (0.50) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11264753 0.90 HMOX1 (0.51) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11260418 0.90 QPCT (0.39) HMOX1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL11266689 0.90 HMOX1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11267712 0.90 CYP19A1 (0.46) HMOX1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11260589 0.89 HMOX1 (0.44) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11255906 0.89 CYP2A6 (0.46) HMOX1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL11260873 0.89 CYP19A1 (0.43) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11261786 0.89 CYP19A1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL11271370 0.88 HMOX1 (0.44) HMOX1CYP19A1CYP11B1CYP11B2MAPK1

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