SCHEMBL31378469

SCHEMBL31378469

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
GRIN2B Q13224 1/20 0.43
BRS3 P32247 6/20 0.42
NSD2 O96028 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD9 Q9H8M2 1/20 0.39
CDK9 P50750 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL14183129 0.85 BCL2 (0.53) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL3833158 0.81 F10 (0.50) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL5543076 0.81 BCL2 (0.52) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL16898754 0.81 IRAK4 (0.46) BCL2GSK3BDYRK1AGRIN2BBRS3
SCHEMBL27518744 0.79 BCL2 (0.44) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL23193793 0.78 BCL2 (0.48) BCL2GSK3BDYRK1AGAA
SCHEMBL29627265 0.78 BCL2 (0.48) BCL2GSK3BDYRK1AGAA
SCHEMBL12403311 0.78 GSK3B (0.47) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL29651977 0.77 HCAR3 (0.57) BCL2GRIN2BHDAC1
SCHEMBL2877186 0.77 HCAR3 (0.57) BCL2GRIN2BHDAC1

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
CN-114466844-B N- (1H-imidazol-2-yl) benzamide compound and pharmaceutical composition comprising same as active ingredient 康佳诺医疗科技发展有限公司 2025-02-18 CN disclosed