Nitrobenzene

Nitrobenzene

SCHEMBL30072248

C[C@@H](NC(=O)O)c1ccccc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ PHGDH O43175 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ HSD17B10 Q99714 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
SCHEMBL25387995 0.90 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL15524362 0.90 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL22836032 0.88 HTT (0.56) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3861418 0.88 HTT (0.56) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3861412 0.88 HTT (0.56) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL249524 0.84 HSD17B10 (0.63) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL247742 0.84 HSD17B10 (0.63) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL2672977 0.84 HSD17B10 (0.63) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL10763115 0.83 NPC1 (0.65) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL10763104 0.83 NPC1 (0.65) ALDH1A1KMT2ALMNAMEN1MAPT

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
CN-115477634-A Compound for analgesia and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-16 — — CN disclosed
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