SCHEMBL3146159

SCHEMBL3146159

O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.60
▸ TSHR P16473 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ TPMT P51580 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.52
▸ VCAM1 P19320 3/20 0.52
▸ HCAR3 P49019 4/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TXNRD1 Q16881 1/20 0.50
▸ TXNRD3 Q86VQ6 1/20 0.50
▸ TXNRD2 Q9NNW7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 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
Hydrochloric Acid SCHEMBL10571715 0.98 CASP6 (0.58) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL30629252 0.90 CASP6 (0.55) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL29111608 0.90 CASP6 (0.55) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL22121032 0.89 TPMT (0.59) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL10609914 0.87 TSHR (0.60) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL29886723 0.87 CASP6 (0.51) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL11598615 0.87 TPMT (0.57) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL8744067 0.85 ALDH1A1 (0.54) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL4324556 0.85 VCAM1 (0.63) CASP6TSHRLMNAALDH1A1GPR35
SCHEMBL16160626 0.84 CASP6 (0.49) CASP6TSHRLMNAALDH1A1TPMT

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 222 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241384-A Trifluralin hapten, complete antigen, artificial antigen and antibody as well as preparation methods and application thereof 深圳市绿诗源生物技术有限公司 2025-01-03 — — CN claimed
CN-114195644-B Process and device for selectively nitrifying p-chlorobenzoic acid 浙江工业大学 2023-11-14 — — CN claimed
CN-111362878-B Preparation method of 4-amino-1, 3-dihydro-benzimidazol-2-one 湖南复瑞生物医药技术有限责任公司 2023-09-19 — — CN claimed
CN-114195644-A Process and device for selective nitration of p-chlorobenzoic acid 浙江工业大学 2022-03-18 — — CN claimed
CN-112574051-A 5- (2, 6-diamino-4-carboxyphenoxy) isophthalic acid and preparation method and application thereof 德州学院 2021-03-30 — — CN claimed
CN-111362878-A Preparation method of 4-amino-1, 3-dihydro-benzimidazole-2-ketone 湖南复瑞生物医药技术有限责任公司 2020-07-03 — — CN claimed
CN-105753707-A Synthesis method for 1,4-bis(2,6-binitro-4-formic acid phenoxy)benzene 常州大学 2016-07-13 — — CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 — — US claimed
WO-1997034593-A1 AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES RADOPATH LIMITED (GB) 1997-09-25 — — WO claimed
EP-0751768-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1997-01-08 — — EP claimed
WO-1996029067-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1996-09-26 — — WO claimed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 — — CN claimed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 — — EP claimed
EP-0677292-A1 Anti-viral and anti-cancer agents RADOPATH LIMITED (GB) 1995-10-18 — — EP claimed
WO-1995024897-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1995-09-21 — — WO claimed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 — — WO claimed
US-4806151-A ESTERIFICATION, THEN AMINATION OF 4-CHLORO-3,5-DINITRO-BENZOIC ACID; ACID CATALYST, SALT FORMATION OF EXCESS; FUNGICIDES, HERBICIDES BUDAPESTI VEGYIMUVEK (HU) 1989-02-21 — — US claimed
US-4375550-A Hydrogenation of halogen-substituted aromatic nitro compounds JOHNSON, MATTHEY & CO., LIMITED (GB) 1983-03-01 — — US claimed
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