SCHEMBL35210085

SCHEMBL35210085

[2H]C(C=O)C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CPA1 P15085 3/20 0.38
▸ CNR1 P21554 9/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL21686410 0.83 NPC1 (0.46) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL27725189 0.83 NPC1 (0.46) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL12122100 0.83 NPC1 (0.46) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL4788685 0.82 NPC1 (0.55) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL17466747 0.75 NPC1 (0.49) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL1986382 0.75 GSR (0.51) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL11148252 0.75 GABBR2 (0.52) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL22831452 0.72 GABBR2 (0.58) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL1984016 0.72 NPC1 (0.46) NPC1ADAM17KDM4EMAPTMAPK1
SCHEMBL29147714 0.72 GABBR2 (0.58) NPC1ADAM17KDM4EMAPTMAPK1

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-4737521-A1 AZA-METAL-DIPYRROMETHENE DERIVATIVES, PROCESSES OF PRODUCTION AND USES THEREOF AS PHOTOCATALYSTS Centre National de la Recherche Scientifique (FR) 2026-05-06 — — EP disclosed
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