SCHEMBL31743939

SCHEMBL31743939

Cc1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 9/20 0.48
▸ ALDH3A1 P30838 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MCL1 Q07820 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL10810171 0.82 GSK3B (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL17077769 0.80 KMT2A (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1625221 0.77 TSHR (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29310766 0.76 TNF (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL30827602 0.76 TNF (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18355762 0.76 MAPT (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16900176 0.75 RAB9A (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1663522 0.75 MAPT (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22641112 0.75 MAPT (0.44) MEN1KMT2ANPC1RAB9AMAPT
Bromide SCHEMBL17077931 0.75 MAPT (0.47) MEN1KMT2ANPC1RAB9AMAPT

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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