SCHEMBL29623640

SCHEMBL29623640

O=C(Nc1ccc[nH]c1=O)c1ccc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.55
PARP1 P09874 5/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
ATM Q13315 1/20 0.45
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TMIGD3 P0DMS9 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL487234 0.84 PARP1 (0.66) PARP1GSK3AGSK3BNPC1RAB9A
SCHEMBL3912747 0.80 PARP1 (0.68) PARP1GSK3AGSK3BNPC1RAB9A
SCHEMBL4151799 0.80 PARP1 (0.51) PARP1GSK3AGSK3B
SCHEMBL16794593 0.79 NAPRT (0.52) PARP1GSK3AGSK3BNPC1RAB9A
SCHEMBL13506055 0.79 HPGD (0.62) KCNMA1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL18554247 0.78 DHODH (0.58) KCNMA1NPC1RAB9AALDH1A1
SCHEMBL3431388 0.78 GAA (0.47) PARP1GSK3AGSK3BGFERCDC25A
SCHEMBL6826283 0.78 ALDH1A1 (0.50) GSK3AGSK3BNPC1RAB9ACDC25A
SCHEMBL26623356 0.78 NPC1 (0.59) NPC1RAB9AALDH1A1KDM4E
SCHEMBL27460160 0.77 NPC1 (0.64) KCNMA1PARP1NPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2024178404-A PYRROLE AMIDOPYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF シャンハイ リンジーン バイオファーマ カンパニー リミテッド 2024-12-24 JP disclosed
EP-3967690-A4 PYRROLE AMIDOPYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-04-12 EP disclosed
EP-3967690-A1 PYRROLE AMIDOPYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Ringene BioPharma Co., Ltd. (CN) 2022-03-16 EP disclosed