SCHEMBL11262886

SCHEMBL11262886

CCC1CCSC(CCn2ccnc2)(Cc2ccc(C)cc2)S1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
QPCT Q16769 2/20 0.37
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
PRKCI P41743 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
SCHEMBL11266390 0.91 HMOX1 (0.42) CYP19A1CYP11B1CYP11B2
SCHEMBL11262771 0.91 CYP1A2 (0.39) CYP19A1CYP11B1CYP11B2QPCTPOLB
SCHEMBL11261780 0.90 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2QPCTPOLB
SCHEMBL11267828 0.89 MEN1 (0.42) CYP19A1CYP11B1QPCTTDP1ALDH1A1
SCHEMBL11261555 0.89 KMT2A (0.40) CYP19A1QPCTPOLBTDP1LMNA
SCHEMBL11269327 0.88 HMOX1 (0.41) QPCT
SCHEMBL11270017 0.87 QPCT (0.42) CYP19A1QPCTALDH1A1LMNAPRKCI
SCHEMBL11261648 0.86 POLB (0.40) CYP11B1CYP11B2QPCTPOLBCTDSP1
SCHEMBL11261707 0.85 QPCT (0.39) CYP19A1CYP11B1CYP11B2QPCTALDH1A1
SCHEMBL11270175 0.85 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2QPCTPOLB

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