SCHEMBL13504641

SCHEMBL13504641

c1ccc(-c2ccccc2-n2cnc3ccccc32)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPP1CA P62136 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.49
HTR7 P34969 1/20 0.47
FGFR1 P11362 3/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
ROCK1 Q13464 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSF1 Q00613 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL23266636 0.85 HTT (0.60) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL3417306 0.79 HTT (0.73) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL27995809 0.79 HTT (0.58) POLBMAPTKMT2ANPSR1HTT
SCHEMBL23266681 0.79 HTT (0.53) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL18892144 0.76 MAPT (0.51) POLBCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL21135010 0.75 HTT (0.49) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL21135011 0.75 HTT (0.49) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL23266691 0.75 HTT (0.53) POLBMAPTKMT2ANPSR1HTT
SCHEMBL30389764 0.75 HTT (0.49) POLBHTTFGFR1MKNK1MKNK2
SCHEMBL25635315 0.75 HTT (0.49) POLBHTTFGFR1MKNK1MKNK2

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
EP-2319837-B1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NEUROSEARCH AS (DK) 2012-10-31 EP disclosed