SCHEMBL28043007

SCHEMBL28043007

COc1cc(Cl)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
G6PD P11413 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
TPMT P51580 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43

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
SCHEMBL9657631 0.87 MAPT (0.56) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL10981231 0.84 MAPK1 (0.50) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL6701537 0.84 TSHR (0.48) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL31503831 0.84 MAPK1 (0.50) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL8679011 0.82 MAPK1 (0.49) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL203087 0.81 MAPT (0.64) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL30140371 0.81 MAPK1 (0.47) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL20523543 0.81 TPMT (0.43) MAPK1MAPTPKMMEN1KMT2A
SCHEMBL29161426 0.81 TPMT (0.43) MAPK1MAPTMEN1KMT2AKDM4E
SCHEMBL5038570 0.80 MAPT (0.54) MAPK1MAPTPKMMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-212942945-U 4-chloro-2, 5-dimethoxyl nitrobenzene synthesis reaction tank 大名县名鼎化工有限责任公司 2021-04-13 CN claimed
CN-106496558-B One kind can response type poly (arylene ether nitrile) imide resin and preparation method thereof 沈阳航空航天大学 2019-03-08 CN claimed
CN-105161757-B A kind of lithium-ion battery electrolytes containing the anti-overcharge additive of oxidation-reduction type 张家港市国泰华荣化工新材料有限公司 2017-08-22 CN disclosed
CN-106045864-A Production process for preparing 4-chloro-2,5-dimethoxyaniline with hydrazine hydrate catalytic reduction method 洛阳卓特化工有限公司 2016-10-26 CN disclosed
CN-105161757-A Lithium-ion battery electrolyte containing redox overcharge protecting additive ZHANGJIAGANG GUOTAI HUARONG NEW CHEMICAL MATERIALS 2015-12-16 CN disclosed