SCHEMBL11263808

SCHEMBL11263808

CCOc1ccc(CC2(CCn3ccnc3)SCCS2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.47
QPCT Q16769 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
TBXAS1 P24557 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LTA4H P09960 1/20 0.44
HMOX1 P09601 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL11257105 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAKMT2AQPCT
SCHEMBL11261162 0.88 MEN1 (0.50) ALDH1A1LMNAKMT2AQPCTGAA
SCHEMBL11252384 0.87 QPCT (0.46) ALDH1A1KDM4EQPCTTBXAS1HMOX1
SCHEMBL11265246 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAKMT2AQPCT
SCHEMBL11260158 0.85 CYP19A1 (0.42) KMT2ATBXAS1HMOX1
SCHEMBL11270175 0.84 CYP11B1 (0.51) ALDH1A1LMNAQPCT
SCHEMBL11260381 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAKMT2AQPCT
SCHEMBL11289197 0.84 MEN1 (0.48) ALDH1A1LMNAKMT2AQPCTGAA
SCHEMBL11268229 0.83 CYP19A1 (0.46) TBXAS1HMOX1
SCHEMBL11260572 0.82 HMOX1 (0.52) HMOX1

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