SCHEMBL31743760

SCHEMBL31743760

CN(C)c1ccc(Nc2c(F)cc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.47
▸ MAPT P10636 9/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KDM1A O60341 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ BAZ1A Q9NRL2 1/20 0.38

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
SCHEMBL31744043 0.78 ALDH3A1 (0.46) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL2327571 0.75 ALDH3A1 (0.53) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL10629455 0.74 HCAR3 (0.52) ALDH3A1MAPTKMT2AMAPK1MEN1
SCHEMBL10631223 0.73 ALDH3A1 (0.57) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL8778029 0.73 ALDH3A1 (0.48) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL1663522 0.72 MAPT (0.54) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL15483224 0.72 MAPT (0.49) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL6833823 0.71 KMT2A (0.71) ALDH3A1MAPTKMT2ANPC1RAB9A
SCHEMBL9821016 0.71 MAPT (0.47) ALDH3A1MAPTKMT2AL3MBTL1MAPK1
SCHEMBL3878871 0.71 MAPT (0.61) MAPTKMT2AL3MBTL1MAPK1MEN1

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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