SCHEMBL32691850

SCHEMBL32691850

N#Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.64
▸ ERN1 O75460 1/20 0.51
▸ VCAM1 P19320 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CXCR1 P25024 1/20 0.42
▸ CXCR2 P25025 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL1344484 1.00 GPR35 (0.64) GPR35ERN1VCAM1TDP1ALDH1A1
SCHEMBL8366183 0.92 GPR35 (0.55) GPR35ERN1VCAM1TDP1ALDH1A1
SCHEMBL5682648 0.83 GPR35 (0.67) GPR35ERN1TDP1ALDH1A1HPGD
SCHEMBL29382907 0.80 VCAM1 (0.56) GPR35VCAM1TDP1ALDH1A1HPGD
SCHEMBL56638 0.80 VCAM1 (0.56) GPR35VCAM1TDP1ALDH1A1HPGD
SCHEMBL1077970 0.80 GPR35 (1.00) GPR35ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL30694393 0.79 VCAM1 (0.47) GPR35VCAM1TDP1ALDH1A1HPGD
SCHEMBL622040 0.79 GPR35 (0.53) GPR35VCAM1TDP1ALDH1A1HPGD
SCHEMBL220318 0.79 VCAM1 (0.47) GPR35VCAM1TDP1ALDH1A1HPGD
Phenol SCHEMBL28138934 0.79 VCAM1 (0.47) GPR35VCAM1TDP1ALDH1A1HPGD

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-121735780-A Preparation method of 2-fluoro-3-nitrobenzoic acid compound 内蒙古宜达化学科技有限公司 2026-03-27 — — CN disclosed
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