SCHEMBL11265012

SCHEMBL11265012

CCCCC1CSC(CCCn2ccnc2)(Cc2ccc(C)cc2)S1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.40
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TBXAS1 P24557 1/20 0.38
PRKCI P41743 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HMOX1 P09601 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.95 CYP19A1 (0.40) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11265125 0.91 CYP2A6 (0.39) CYP19A1CYP11B1CYP11B2TBXAS1ALDH1A1
SCHEMBL11268725 0.91 TBXAS1 (0.39) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11262883 0.91 QPCT (0.42) QPCTCYP19A1CYP11B1CYP11B2PRKCI
SCHEMBL11261707 0.91 QPCT (0.39) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11253439 0.90 MEN1 (0.44) QPCTCYP19A1TBXAS1ALDH1A1TSHR
SCHEMBL11273780 0.89 CYP11B1 (0.41) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11261626 0.88 QPCT (0.38) QPCTCYP19A1TBXAS1ALDH1A1KDM4E
SCHEMBL11269550 0.86 CYP19A1 (0.39) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11269136 0.86 CYP2A6 (0.40) CYP19A1CYP11B1CYP11B2ALDH1A1TSHR

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