SCHEMBL15925458

SCHEMBL15925458

COc1ccc(Cc2nc(N3CCOCC3)sc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.58
AR P10275 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.46
RAB9A P51151 3/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
PRMT1 Q99873 2/20 0.43
THRB P10828 2/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL15925466 0.91 CETP (0.49) CETPARSMN1; SMN2APPRAB9A
SCHEMBL15925487 0.89 CETP (0.48) CETPARSMN1; SMN2APPRAB9A
SCHEMBL15925460 0.87 AR (0.51) CETPARSMN1; SMN2RAB9APPARG
SCHEMBL10298676 0.86 CETP (0.56) CETPSMN1; SMN2APPRAB9AALDH1A1
SCHEMBL15925462 0.85 SMN1; SMN2 (0.49) CETPARSMN1; SMN2RAB9APPARG
SCHEMBL10298347 0.84 CETP (0.57) CETPSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15925455 0.82 AR (0.52) CETPARSMN1; SMN2RAB9APPARG
SCHEMBL15925461 0.81 ALOX15 (0.52) ARSMN1; SMN2RAB9APPARGPPARA
SCHEMBL15925464 0.80 SMN1; SMN2 (0.50) CETPARSMN1; SMN2RAB9APPARG
SCHEMBL15925468 0.79 AR (0.44) CETPARSMN1; SMN2RAB9APPARG

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-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed