SCHEMBL599311

SCHEMBL599311

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 3/20 0.44
GAA P10253 2/20 0.44
HSP90AA1 P07900 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
LMNA P02545 1/20 0.44
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GPR55 Q9Y2T6 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
VCAM1 P19320 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL3645803 1.00 TDP1 (0.45) TDP1L3MBTL1ATMGAAHSP90AA1
SCHEMBL7220889 0.82 CA1 (0.47) L3MBTL1ATMGAACES2CES1
SCHEMBL4363316 0.79 TDP1 (0.48) TDP1L3MBTL1NPC1RAB9ACES2
SCHEMBL10353222 0.78 TDP1 (0.47) TDP1L3MBTL1NPC1RAB9ACES2
SCHEMBL6652948 0.78 CES2 (0.50) TDP1L3MBTL1NPC1RAB9ACES2
SCHEMBL23706328 0.76 TDP1 (0.45) TDP1L3MBTL1NPC1RAB9ACES2
SCHEMBL571674 0.76 TDP1 (0.45) TDP1L3MBTL1NPC1RAB9ACES2
SCHEMBL4873699 0.76 TDP1 (0.45) TDP1L3MBTL1GAANPC1RAB9A
SCHEMBL6081855 0.76 PGR (0.46) TDP1L3MBTL1ATMNPC1RAB9A
SCHEMBL10580248 0.76 TDP1 (0.45) TDP1L3MBTL1NPC1RAB9ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105327703-B The preparation method of gold nano catalyst and the catalyst prod obtained and application 中国科学技术大学 2017-11-24 CN claimed
CN-105327703-A Preparation method for gold nanometer catalyst, and obtained catalyst product and application thereof USTC UNIV SCIENCE TECH CN 2016-02-17 CN claimed
CN-102285967-A 2-arylmethylmercapto-6-(tetrahydroquinoline-1-methyl)-4-pyrimidone derivatives, and preparation method and use thereof 2011-12-21 CN claimed
CN-118851894-A Preparation method of 4-halogenated-2-trifluoromethyl acetophenone 帕潘纳(北京)科技有限公司 2024-10-29 CN disclosed
CN-110606850-A 3-benzo [4,5] imidazo [1,2-a ] pyrazine-1-amine compound and preparation method and application thereof 中山大学 2019-12-24 CN disclosed
CN-105327703-B The preparation method of gold nano catalyst and the catalyst prod obtained and application 中国科学技术大学 2017-11-24 CN disclosed
CN-105327703-A Preparation method for gold nanometer catalyst, and obtained catalyst product and application thereof USTC UNIV SCIENCE TECH CN 2016-02-17 CN disclosed
CN-103347859-B Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MANAGEMENT CORP. (CN) 2015-12-02 CN disclosed
US-8114569-B2 Maskless photopolymer exposure process and apparatus PHOTOCENTRIC LIMITED (GB) 2012-02-14 US disclosed
CN-102285967-A 2-arylmethylmercapto-6-(tetrahydroquinoline-1-methyl)-4-pyrimidone derivatives, and preparation method and use thereof 2011-12-21 CN disclosed
CN-1422269-A 1H-imidazopyridine derivatives HOKURIKU PHARMACEUTICAL (JP) 2003-06-04 CN disclosed
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed
US-4048200-A P-HYDROXYPHENYL)-1-PHENYL-ETHANESPOLYCARBONATES, EPOXY RESINS, PHENOLIC RESINS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed