SCHEMBL31744043

SCHEMBL31744043

CN(C)c1ccc(Nc2c([N+](=O)[O-])ccc(Cl)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.46
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 10/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HTT P42858 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GALR2 O43603 1/20 0.37
▸ NSD2 O96028 1/20 0.37

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
SCHEMBL10643719 0.81 MAPT (0.45) ALDH3A1KMT2AMEN1RAB9ANPC1
SCHEMBL31743760 0.78 ALDH3A1 (0.47) ALDH3A1KMT2AMEN1RAB9ANPC1
SCHEMBL31743995 0.76 KDM1A (0.40) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL26790809 0.75 TDP1 (0.47) ALDH1A1MAPK1LMNATDP1VCAM1
SCHEMBL31237130 0.74 MAPT (0.57) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL31237012 0.73 MEN1 (0.38) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2327571 0.73 ALDH3A1 (0.53) ALDH3A1KMT2AMEN1RAB9ANPC1
SCHEMBL1663522 0.73 MAPT (0.54) ALDH3A1KMT2AMEN1RAB9ANPC1
SCHEMBL31237025 0.71 MAPT (0.38) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL31237107 0.70 MEN1 (0.36) KMT2AMEN1RAB9ANPC1MAPT

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
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
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