SCHEMBL9540423

SCHEMBL9540423

Sc1[nH]c(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
MAPK11 Q15759 10/20 0.53
MAPK14 Q16539 10/20 0.53
RAF1 P04049 6/20 0.53
MAPK9 P45984 3/20 0.53
POLB P06746 1/20 0.53
GCGR P47871 4/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NOX1 Q9Y5S8 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.45

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
Benzene SCHEMBL28852698 0.77 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.77 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL724250 0.75 NPY5R (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5074753 0.75 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27850480 0.75 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.75 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27914820 0.75 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5361379 0.75 POLB (0.53) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL16667652 0.73 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL31305589 0.72 NPY5R (0.68) MAPK13MAPK12MAPK11MAPK14RAF1

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-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed