SCHEMBL38001

SCHEMBL38001

NNc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KAT2B Q92831 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSD P07339 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
S100A4 P26447 1/20 0.40
POLB P06746 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30426811 1.00 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1511024 0.98 GPR35 (0.52) GPR35TSHRTDP1ALDH1A1MAPK1
Methyl Alcohol SCHEMBL27709288 0.95 GPR35 (0.53) GPR35TSHRTDP1ALDH1A1MAPK1
Sulfuric Acid SCHEMBL8936549 0.92 GPR35 (0.50) GPR35TSHRTDP1ALDH1A1MAPK1
Alcohol SCHEMBL27523840 0.90 GPR35 (0.49) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL11674130 0.86 MAPT (0.55) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL27663010 0.82 TSHR (0.41) GPR35TSHRTDP1ALDH1A1MAPK1
SCHEMBL30110487 0.82 MAPK1 (0.60) TDP1ALDH1A1MAPK1CASP7L3MBTL1
SCHEMBL297021 0.82 MAPK1 (0.60) TDP1ALDH1A1MAPK1CASP7L3MBTL1
SCHEMBL11809934 0.82 ALDH1A1 (0.45) GPR35TSHRTDP1ALDH1A1MAPK1

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

Appears in 3762 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3881048-B1 DEVICE FOR REMOVING VOLATILE ORGANIC COMPOUNDS LETAT FRANCAIS REPRESENTE PAR LE MINI DE LINTERIEUR (FR) 2026-05-06 EP claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
CN-116577448-B Quality control method of magnolia bark and seven-material soup 华南农业大学 2026-02-27 CN claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
US-20250129002-A1 PRODUCTION METHOD OF PRODUCT 1,3-BUTYLENE GLYCOL KH NEOCHEM CO., LTD. (JP) 2025-04-24 US claimed
CN-119086466-B Rapid batch detection method for p-hydroxyacetophenone in cosmetics 广州中科检技术检测有限公司 2025-04-15 CN claimed
CN-115963220-B Identification method of stomach ache pill 广州白云山中一药业有限公司 2025-03-25 CN claimed
CN-119534733-A Method for measuring formaldehyde in water-based adhesive for cigarettes 浙江中烟工业有限责任公司 2025-02-28 CN claimed
CN-119157926-A Preparation and quality control method of Mongolian medicine gentiana macrophylla flower formula granules 内蒙古医科大学 2024-12-20 CN claimed
WO-1996006352-A1 METHOD AND KIT FOR MONITORING MAMMALIAN REPRODUCTIVE CYCLES TEXAS A & M UNIVERSITY SYSTEM (US) 1996-02-29 WO claimed
EP-0452040-B1 Polysaccharide compounds produced by fermentation KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP claimed
WO-1994005276-A1 CYTOTOXIC COMPOUNDS MORGAN LEE R (US) 1994-03-17 WO claimed
EP-0372986-B1 COMPOUND KS-505 AND A PROCESS FOR PRODUCING THE SAME KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1993-03-24 EP claimed
US-5132112-A Linear B1-6 glucan esterified by caproic acid; antagonistic to atrial sodium peptide receptors and thus useful for treating hypotension and polyuria KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-07-21 US claimed
US-5079232-A Inhibits amnesia; treatment of alzheimer*s KYOWA HAKKO ROGYO KABUSHIKI KAISHA (JP) 1992-01-07 US claimed
EP-0452040-A2 Polysaccharide compounds produced by fermentation KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-10-16 EP claimed
EP-0372986-A2 Compound KS-505 and a process for producing the same KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1990-06-13 EP claimed
US-4906579-A New catalytically oxidized polyglucosic units and methods of making same leading to aldehyde groups on the C-6 position of polyglucosic product and new products therefrom DOMTAR INC (CA) 1990-03-06 US claimed
EP-0032684-B1 PROCESS FOR PREPARING 8-ALPHA-SUBSTITUTED 6-METHYLERGOLINE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-21 EP claimed