SCHEMBL9286102

SCHEMBL9286102

Cc1ccc(-c2nnn(C)n2)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PPARA Q07869 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL13846109 0.72 PDK2 (0.48) PDK2RAB9ASMN1; SMN2CYP1A2TRPM8
SCHEMBL31547671 0.71 POLB (0.48) CYP1A2RECQL
SCHEMBL920891 0.71 POLB (0.48) CYP1A2RECQL
SCHEMBL2647877 0.70 PDK2 (0.50) PDK2SMN1; SMN2TRPM8
SCHEMBL8553788 0.70 CA1 (0.46) TP53RAB9ASMN1; SMN2EPHX2CYP1A2
SCHEMBL17194991 0.68 PDK2 (0.45) PDK2TP53RAB9ASMN1; SMN2EPHX2
SCHEMBL30996534 0.67 EPHX2 (0.37) PDK2TP53RAB9ASMN1; SMN2EPHX2
SCHEMBL6609423 0.67 TRPV1 (0.42) TP53RAB9ASMN1; SMN2TRPM8NPC1
SCHEMBL19207092 0.66 CSNK2A1 (0.44) TP53RAB9ASMN1; SMN2GAA
SCHEMBL31336940 0.66 CSNK2A1 (0.44) TP53RAB9ASMN1; SMN2GAA

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
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed