SCHEMBL11261844

SCHEMBL11261844

CCCCC1CSC(Cc2ccc(CC)cc2)(Cn2ccnc2)S1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.35
TBXAS1 P24557 1/20 0.33
HMOX1 P09601 2/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL11273780 0.93 CYP11B1 (0.41) QPCTTBXAS1HMOX1CYP19A1CYP11B1
SCHEMBL11256712 0.92 HMOX1 (0.42) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11258083 0.92 CYP1A2 (0.39) QPCTTBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11256030 0.90 TBXAS1 (0.39) TBXAS1CYP19A1CYP11B1
SCHEMBL11266438 0.90 HMOX1 (0.40) HMOX1
SCHEMBL11261626 0.90 QPCT (0.38) QPCTTBXAS1HMOX1CYP19A1
SCHEMBL11267566 0.89 QPCT (0.35) QPCTHMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11253955 0.89 HMOX1 (0.37) HMOX1
SCHEMBL11261683 0.85 PLA2G4A (0.37) HMOX1CYP19A1
SCHEMBL11265945 0.85 HMOX1 (0.38) QPCTHMOX1CYP19A1CYP11B1CYP11B2

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