SCHEMBL6756255

SCHEMBL6756255

c1ccc(C(Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
DDAH1 O94760 1/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
BCHE P06276 1/20 0.51
CHRM1 P11229 1/20 0.51
PKM P14618 1/20 0.50
PDE10A Q9Y233 1/20 0.50
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48

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
SCHEMBL21056183 0.83 GAA (0.54) GAADDAH1POLBNPC1RAB9A
Ammonia Solution, Strong SCHEMBL20677811 0.81 NPSR1 (0.54) GAADDAH1POLBNPC1RAB9A
SCHEMBL4562346 0.79 DDAH1 (0.59) GAADDAH1POLBNPC1RAB9A
SCHEMBL4124111 0.79 DDAH1 (0.65) GAADDAH1POLBNPC1RAB9A
SCHEMBL2277460 0.79 DDAH1 (0.59) GAADDAH1POLBNPC1RAB9A
SCHEMBL30679038 0.79 DDAH1 (0.59) GAADDAH1POLBNPC1RAB9A
SCHEMBL23301149 0.78 DDAH1 (0.54) GAADDAH1POLBNPC1RAB9A
SCHEMBL4963917 0.78 MAPT (0.51) GAADDAH1POLBNPC1RAB9A
SCHEMBL4619198 0.76 DDAH1 (0.61) GAADDAH1POLBNPC1RAB9A
SCHEMBL10761755 0.76 DDAH1 (0.61) GAADDAH1POLBNPC1RAB9A

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-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed