SCHEMBL31237014

SCHEMBL31237014

COC(=O)c1cccc(CCNc2ccc(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
PKM P14618 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL31237090 0.89 MAPT (0.59) MAPTPKMKMT2AALDH1A1NPSR1
SCHEMBL8024498 0.81 MAPT (0.53) MAPTPKMKMT2AALDH1A1MEN1
SCHEMBL15227963 0.79 MRGPRX4 (0.66) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL5361493 0.79 MAPT (0.70) MAPTPKMKMT2AALDH1A1NPSR1
SCHEMBL3284186 0.78 STK17A (0.58) MAPTKMT2AMEN1NPC1CYP1A2
SCHEMBL19278151 0.78 MAPT (0.69) MAPTPKMKMT2AALDH1A1MEN1
SCHEMBL21437337 0.77 KMT2A (0.65) MAPTPKMKMT2AALDH1A1MEN1
SCHEMBL20762068 0.77 MAPT (0.61) MAPTPKMKMT2AALDH1A1MEN1
SCHEMBL4537985 0.77 MAPT (0.62) MAPTPKMKMT2AALDH1A1MEN1
SCHEMBL1180504 0.76 MAPT (0.57) MAPTKMT2AALDH1A1MEN1NPC1

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
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed