SCHEMBL9736817

SCHEMBL9736817

c1ccc(-c2nc(-c3cccnc3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.71
MAPK12 P53778 12/20 0.71
MAPK11 Q15759 12/20 0.71
MAPK14 Q16539 12/20 0.71
RAF1 P04049 6/20 0.71
MAPK9 P45984 1/20 0.71
NPY5R Q15761 1/20 0.60
CYP19A1 P11511 1/20 0.60
GCGR P47871 5/20 0.60
BRAF P15056 3/20 0.60
ALOX5 P09917 1/20 0.60
KDM4E B2RXH2 2/20 0.59
LDHA P00338 1/20 0.59
EPHX2 P34913 1/20 0.59
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
STAT1 P42224 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL15075610 0.88 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL28399057 0.87 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL28398004 0.85 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075608 0.84 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL28400755 0.84 BRAF (0.58) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075635 0.84 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.84 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
Benzene SCHEMBL28852698 0.84 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075609 0.83 SMPD3 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2949385 0.83 MAPK13 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057043-A Imidazole compound, preparation method and application thereof, organic weldable protective agent containing imidazole compound and surface treatment method 深圳市贝加电子材料有限公司 2020-04-24 CN claimed
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed