SCHEMBL11260023

SCHEMBL11260023

CCc1ccc(CC2(CCn3ccnc3)SCC(CC)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TBXAS1 P24557 1/20 0.33
LTA4H P09960 1/20 0.33
TP53 P04637 1/20 0.33
HMOX1 P09601 1/20 0.33

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
SCHEMBL11270747 0.94 QPCT (0.41) QPCTALDH1A1KDM4ECYP19A1TBXAS1
SCHEMBL11261780 0.93 CYP19A1 (0.43) QPCTALDH1A1KDM4ECYP19A1CYP11B1
SCHEMBL11253358 0.92 CYP19A1 (0.37) CYP19A1TBXAS1HMOX1
SCHEMBL11271370 0.92 HMOX1 (0.44) ALDH1A1KDM4ECYP19A1CYP11B1CYP11B2
SCHEMBL11258901 0.92 CYP2A6 (0.43) KDM4ECYP19A1CYP11B1CYP11B2TP53
SCHEMBL11255025 0.91 TBXAS1 (0.40) QPCTALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL11258240 0.90 QPCT (0.38) QPCTCYP19A1HMOX1
SCHEMBL11267601 0.90 CYP19A1 (0.40) CYP19A1TBXAS1HMOX1
SCHEMBL11261626 0.90 QPCT (0.38) QPCTALDH1A1KDM4ECYP19A1TBXAS1
SCHEMBL11266114 0.90 MEN1 (0.43) QPCTALDH1A1KDM4ECYP19A1CYP11B1

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