SCHEMBL11260829

SCHEMBL11260829

CCCCC1CCSC(CCn2ccnc2)(Cc2ccc(CC)cc2)S1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.39
TBXAS1 P24557 2/20 0.36
CYP19A1 P11511 2/20 0.32
HMOX1 P09601 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL11263880 0.93 CYP2A6 (0.39) QPCTCYP19A1HMOX1ALDH1A1
SCHEMBL11263272 0.92 CYP1A2 (0.36) QPCTTBXAS1CYP19A1SMN1; SMN2
SCHEMBL11261720 0.91 QPCT (0.38) QPCTTBXAS1CYP19A1HMOX1
SCHEMBL11263441 0.91 MEN1 (0.41) QPCTTBXAS1CYP19A1ALDH1A1
SCHEMBL11261626 0.90 QPCT (0.38) QPCTTBXAS1CYP19A1HMOX1KDM4E
SCHEMBL11261707 0.89 QPCT (0.39) QPCTTBXAS1CYP19A1KDM4EALDH1A1
SCHEMBL11270666 0.88 CYP2A6 (0.38) QPCTCYP19A1HMOX1ALDH1A1
SCHEMBL11259161 0.88 TBXAS1 (0.38) QPCTTBXAS1CYP19A1KDM4EALDH1A1
SCHEMBL11265536 0.86 MEN1 (0.43) QPCTTBXAS1CYP19A1KDM4EALDH1A1
SCHEMBL11270017 0.86 QPCT (0.42) QPCTTBXAS1CYP19A1HMOX1KDM4E

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