SCHEMBL31171019

SCHEMBL31171019

CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.61
▸ MAPT P10636 6/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PPIA P62937 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GAA P10253 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RORC P51449 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL358946 1.00 HTT (0.61) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL2337052 0.87 KMT2A (0.67) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL11526803 0.85 HTT (0.71) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL6349009 0.84 KMT2A (0.64) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL6348399 0.84 PDE7A (0.60) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL5857091 0.84 KMT2A (0.63) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL11522897 0.83 CYP3A4 (0.65) HTTMAPTKMT2APPIATSHR
SCHEMBL11311655 0.83 ALDH1A1 (0.65) HTTMAPTKMT2ASMN1; SMN2PPIA
SCHEMBL3164500 0.82 ALDH1A1 (0.66) HTTMAPTKMT2ANPC1RAB9A
SCHEMBL358355 0.82 HTT (0.63) HTTMAPTKMT2ASMN1; SMN2MAPK1

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-4709425-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF Biocytogen Pharmaceuticals (Beijing) Co., Ltd. (CN) 2026-03-18 — — EP disclosed
WO-2024235105-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF BIOCYTOGEN PHARMACEUTICALS (BEIJING) CO., LTD. (CN) 2024-11-21 — — WO disclosed
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