SCHEMBL9793652

SCHEMBL9793652

O=[N+]([O-])C(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ APP P05067 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ACP3 P15309 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ FBP1 P09467 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL287934 0.81 GSR (0.38) LMNAGSRKMT2AACP3MAPK1
SCHEMBL12630728 0.79 KMT2A (0.38) ALDH1A1LMNAGSRNPC1ADAM17
SCHEMBL10601165 0.73 ALDH1A1 (0.42) ALDH1A1LMNAGSRAPPKMT2A
SCHEMBL10598148 0.73 ALDH1A1 (0.42) ALDH1A1LMNAGSRAPPKMT2A
SCHEMBL12630686 0.73 KMT2A (0.35) ALDH1A1LMNAGSRNPC1ADAM17
SCHEMBL10598153 0.73 ALDH1A1 (0.42) ALDH1A1LMNAGSRAPPKMT2A
SCHEMBL10601629 0.73 ALDH1A1 (0.42) ALDH1A1LMNAGSRAPPKMT2A
SCHEMBL10598468 0.73 ALDH1A1 (0.42) ALDH1A1LMNAGSRAPPKMT2A
SCHEMBL10799704 0.73 GSR (0.34) ALDH1A1LMNAGSRNPC1ADAM17
SCHEMBL8753701 0.72 GSR (0.37) GSRKMT2AKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110078623-A A method of preparing 2,2 '-two -4,4 '-dinitro biphenyl of trifluoromethyl 天津市均凯化工科技有限公司 2019-08-02 — — CN claimed
CN-106928079-B Trefanocide haptens and its preparation method and application 广东第二师范学院 2019-02-22 — — CN claimed
CN-108101789-A A kind of preparation method of amino benzenes compounds 苏州开元民生科技股份有限公司 2018-06-01 — — CN claimed
CN-106928079-A Trefanocide haptens and its preparation method and application 广东第二师范学院 2017-07-07 — — CN claimed
CN-104529839-B 4,4 '-two [3,5-bis-(2-trifluoromethyl-4-aminophenoxyl) phenoxy group] diphenyl sulphone (DPS) and its preparation method and application 吉林大学 2016-08-17 — — CN claimed
CN-104402731-A Method utilizing catalytic hydrogenation synthesis of nitrobenzene compounds to prepare aniline compounds YANTAI INST COASTAL ZONE RES CAS 2015-03-11 — — CN claimed
JP-2045451-A — — None — — JP disclosed
CN-110483303-A A kind of 3- nitro -4- chlorobenzotrifluoride spent acid emission reduction new process JIANGSU DAHUA CHEMICAL IND CO LTD 2019-11-22 — — CN disclosed
CN-109535005-A The preparation method of 2,2`- bis trifluoromethyl -4,4`- benzidine 山东华夏神舟新材料有限公司 2019-03-29 — — CN disclosed
CN-109111354-A A kind of synthetic method of p-trifluoromethyl benzaldehyde 阜新汉道化工有限责任公司 2019-01-01 — — CN disclosed
CN-108929264-A A kind of preparation method of fluazinam 岳晟 2018-12-04 — — CN disclosed
CN-108503551-A The solvent-free hydrogenation reduction process of mamino-trifluoromethyl benzene 江苏大华化学工业有限公司 2018-09-07 — — CN disclosed
CN-108503551-A The solvent-free hydrogenation reduction process of mamino-trifluoromethyl benzene 江苏大华化学工业有限公司 2018-09-07 — — CN disclosed
CN-100371313-C Process for preparing o-trifluoromethyl aniline ZHEJIANG PROVINCE DONGYANG CIT (CN) 2008-02-27 — — CN disclosed
CN-101102992-A Process for producing 2,2'-bis(trifluoromethyl)-4,4'-diaminobiphenyl AIR WATER CHEMICAL INC (JP) 2008-01-09 — — CN disclosed
CN-1666974-A Process for preparing o-trifluoromethyl aniline ZHEJIANG PROVINCE DONGYANG CIT (CN) 2005-09-14 — — CN disclosed
US-5053504-A PROCESS FOR BENZAZEPINE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1991-10-01 — — US disclosed
EP-0430031-A2 Process for benzazepine intermediates E.R. SQUIBB & SONS, INC. (US) 1991-06-05 — — EP disclosed
JP-H0245451-A PRODUCTION OF NITRORIFLUOROMETHYLTOLUENE CENTRAL GLASS CO LTD 1990-02-15 — — JP disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 — — US disclosed
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