SCHEMBL11261626

SCHEMBL11261626

CCCCC1CSC(CCn2ccnc2)(Cc2ccc(CC)cc2)S1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
TBXAS1 P24557 1/20 0.37
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HMOX1 P09601 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11265825 0.93 CYP19A1 (0.40) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11269136 0.92 CYP2A6 (0.40) CYP19A1ALDH1A1KDM4EHMOX1
SCHEMBL11256558 0.92 CYP1A2 (0.37) QPCTTBXAS1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL11262057 0.91 MEN1 (0.43) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11260829 0.90 QPCT (0.39) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11261844 0.90 QPCT (0.35) QPCTTBXAS1CYP19A1HMOX1
SCHEMBL11260023 0.90 QPCT (0.38) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11265012 0.88 QPCT (0.40) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11265125 0.87 CYP2A6 (0.39) TBXAS1CYP19A1ALDH1A1HMOX1
SCHEMBL11268725 0.87 TBXAS1 (0.39) QPCTTBXAS1CYP19A1ALDH1A1KDM4E

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