SCHEMBL11270114

SCHEMBL11270114

Brc1ccc(CCCC2(Cn3ccnc3)SCCCS2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.55
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL11261667 0.93 HMOX1 (0.60) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11255636 0.88 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11269161 0.88 CYP19A1 (0.47) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11273068 0.88 CYP1A2 (0.44) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11265300 0.88 HMOX1 (0.62) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11264378 0.85 CYP19A1 (0.51) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11267874 0.85 HMOX1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11264370 0.85 HMOX1 (0.46) HMOX1CYP19A1
SCHEMBL11259195 0.85 CYP3A4 (0.48) CYP19A1CYP11B1
SCHEMBL11264247 0.85 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2

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