SCHEMBL892830

SCHEMBL892830

N#Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 1.00
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 5/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 2/20 0.49
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
XDH P47989 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 1/20 0.44

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
SCHEMBL2477528 0.85 VCAM1 (0.74) VCAM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL4638007 0.83 VCAM1 (0.71) VCAM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL73860 0.82 VCAM1 (0.70) VCAM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL16952598 0.81 VCAM1 (0.69) VCAM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL7515195 0.81 ALDH1A1 (0.66) VCAM1ALDH1A1LMNAMAPTGAA
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) VCAM1HSD17B10ALDH1A1LMNAMAPT
Dinitrophenylene SCHEMBL27564017 0.81 VCAM1 (0.68) VCAM1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL698847 0.79 VCAM1 (0.66) VCAM1ALDH1A1LMNAMAPTGAA
SCHEMBL689735 0.79 VCAM1 (0.66) VCAM1ALDH1A1LMNAMAPTGAA
SCHEMBL11092797 0.79 VCAM1 (0.64) VCAM1HSD17B10ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969712-B Analysis and detection method for memantine hydrochloride-containing pharmaceutical preparation 山东京卫制药有限公司 2024-08-27 CN claimed
CN-114213281-B Synthesis method of 2-cyano-4-nitroaniline 浙江闰土股份有限公司 2024-06-14 CN claimed
CN-117969712-A Analysis and detection method for memantine hydrochloride-containing pharmaceutical preparation 北京丰科睿泰医药科技有限公司 2024-05-03 CN claimed
CN-220213926-U Recovery device of solvent anisole in 2-chloro-5-nitrobenzonitrile ammonolysis production 浙江长华科技股份有限公司 2023-12-22 CN claimed
CN-115160183-B Method and reaction system for preparing 2-chloro-5-nitrobenzonitrile 杭州沈氏节能科技股份有限公司 2023-12-15 CN claimed
CN-110690502-B Preparation method and application of inorganic ceramic-polyimide composite electrolyte 华南理工大学 2022-10-25 CN claimed
CN-115160183-A Method and reaction system for preparing 2-chloro-5-nitrobenzonitrile 杭州沈氏节能科技股份有限公司 2022-10-11 CN claimed
CN-114213281-A Synthesis method of 2-cyano-4-nitroaniline 浙江闰土股份有限公司 2022-03-22 CN claimed
CN-113480449-A Novel process for continuously nitrifying and synthesizing 2-cyano-4-nitrochlorobenzene by solvent method 河北嘉泰化工科技有限公司 2021-10-08 CN claimed
CN-109369453-B Method and device for preparing 2-chloro-5-nitrobenzonitrile through pipelining 浙江工业大学 2021-06-25 CN claimed
CN-108428939-A A kind of nickelic ternary lithium battery electrolytes of stable circulation 成都新柯力化工科技有限公司 2018-08-21 CN claimed
CN-108336409-A A kind of nickelic ternary lithium battery overcharge-prevention electrolyte 成都新柯力化工科技有限公司 2018-07-27 CN claimed
CN-105836743-B A kind of preparation facilities of graphene powder and preparation method thereof 烟台市烯能新材料股份有限公司 2018-01-30 CN claimed
CN-107400650-A One kind deformation pseudomonad and its application 中国石油天然气集团公司 2017-11-28 CN claimed
CN-105836743-A Preparation device and preparation method of graphene powder 烟台市烯能新材料股份有限公司 2016-08-10 CN claimed
CN-103193674-B Many cyano group diamine monomer and preparation and application thereof JILIN UNIVERSITY (CN) 2015-08-26 CN claimed
CN-103193674-A Multi-cyandiamine monomer and preparation and application thereof UNIV JILIN 2013-07-10 CN claimed
EP-0190087-B1 FORGE-PROOF SECURITY PAPER, PROCESS FOR MAKING A PAPER FORGE-PROOF AND AQUEOUS OR ORGANIC COMPOSITION ESPECIALLY USEFUL IN MAKING A PAPER FORGE-PROOF AUSSEDAT-REY (FR) 1988-04-06 EP claimed
EP-0034263-B1 SUBSTITUTED BENZONITRILES AND COMPOSITIONS FOR INHIBITING VIRUSES THE DOW CHEMICAL COMPANY (US) 1984-09-26 EP claimed
US-4421694-A Process for the preparation of nitroanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US claimed