SCHEMBL11254671

SCHEMBL11254671

Cc1cc(C)cc(CC2(CCCn3ccnc3)SCCCS2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PRKCI P41743 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
QPCT Q16769 2/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
TBXAS1 P24557 1/20 0.38

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
SCHEMBL11268909 0.93 CYP11B1 (0.49) CYP11B1CYP11B2PRKCIKMT2AMEN1
SCHEMBL11251892 0.88 QPCT (0.47) CYP11B1CYP11B2PRKCIALDH1A1QPCT
SCHEMBL11272520 0.88 CYP11B1 (0.51) CYP11B1CYP11B2PRKCIKMT2AMEN1
SCHEMBL11265390 0.86 CYP11B1 (0.45) CYP11B1CYP11B2PRKCIKMT2AMEN1
SCHEMBL11264282 0.86 CYP11B1 (0.42) CYP11B1CYP11B2PRKCIKMT2AMEN1
SCHEMBL11269437 0.83 QPCT (0.49) CYP11B1CYP11B2PRKCIALDH1A1QPCT
SCHEMBL11253718 0.83 QPCT (0.46) CYP11B1CYP11B2QPCTTBXAS1
SCHEMBL11265708 0.81 CYP2A6 (0.48) CYP11B1CYP11B2ALDH1A1QPCT
SCHEMBL11258631 0.81 CYP11B1 (0.49) CYP11B1CYP11B2PRKCIALDH1A1QPCT
SCHEMBL11268189 0.81 MEN1 (0.52) CYP11B1KMT2AMEN1KDM4EALDH1A1

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