SCHEMBL30452219

SCHEMBL30452219

Nc1nc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.58
MAPK1 P28482 2/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKCG P05129 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
PRKX P51817 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKG2 Q13237 1/20 0.55
ROCK1 Q13464 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN2 Q16513 1/20 0.55
CDC42BPA Q5VT25 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL29032791 1.00 USP30 (0.58) USP30MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL30452215 0.91 CFD (0.59) USP30ROCK2MAP4K4PRKCGROCK1
SCHEMBL29032775 0.91 CFD (0.59) USP30ROCK2MAP4K4PRKCGROCK1
SCHEMBL29032785 0.91 CFD (0.53) USP30ROCK2MAP4K4PRKCGPRKACA
SCHEMBL30451285 0.84 SMN1; SMN2 (0.59) MAPK1EGLN1ABL1FABP6CYP2D6
SCHEMBL29032702 0.83 ABL1 (0.59) USP30MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL30450526 0.83 ABL1 (0.59) USP30MAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL29032725 0.82 MMP2 (0.52) ROCK2MAP4K4PRKCGROCK1PKN2
SCHEMBL30450735 0.82 MMP2 (0.52) ROCK2MAP4K4PRKCGROCK1PKN2
SCHEMBL11712219 0.77 ALDH1A1 (0.58) MAPK1ABL1FABP6PLAUSMN1; SMN2

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-116253686-B Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-11-17 CN disclosed
CN-116253686-A Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-13 CN disclosed