SCHEMBL11264378

SCHEMBL11264378

Brc1ccc(CC2(Cn3ccnc3)SCCCS2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
HMOX1 P09601 3/20 0.50
MAPK1 P28482 1/20 0.40
NOS1 P29475 1/20 0.39

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
SCHEMBL11265939 0.95 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2HMOX1MAPK1
SCHEMBL11261667 0.88 HMOX1 (0.60) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11269020 0.88 HMOX1 (0.50) CYP19A1CYP11B1CYP11B2HMOX1MAPK1
SCHEMBL11257492 0.87 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11262573 0.87 CYP2A6 (0.52) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11258481 0.87 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2
SCHEMBL11270114 0.85 HMOX1 (0.55) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11255616 0.84 CYP19A1 (0.46) CYP19A1CYP11B1MAPK1
SCHEMBL11261964 0.84 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HMOX1MAPK1
SCHEMBL11269948 0.84 HMOX1 (0.44) CYP19A1CYP11B1CYP11B2HMOX1NOS1

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