SCHEMBL7616610

SCHEMBL7616610

O=[N+]([O-])c1ccccc1C(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 5/20 0.46
MAPK1 P28482 1/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CA1 P00915 3/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31207336 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
Formic Acid Methyl Ester SCHEMBL28348311 0.86 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27859392 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11034569 0.83 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27648762 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL31618608 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10796481 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5604305 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3766379 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28247951 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN claimed
CN-109336732-A Method for producing 2, 6-dichlorobenzylidene dichloride and co-producing 2, 6-dichlorotoluene 南京工业大学 2019-02-15 CN claimed
CN-103254197-A Preparation method of anagrelide hydrochloride UNIV HEILONGJIANG 2013-08-21 CN claimed
EP-0150169-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS Monsanto Company (US) 1987-11-11 EP claimed
US-4593144-A REACTING SUBSTITUTED BENZAL CHLORIDES WITH PRECHLOROALKANE IN PRESENCE OF BASE AND PHASE TRANSFER CATALYST MONSANTO COMPANY (US) 1986-06-03 US claimed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US claimed
JP-60025957-A None JP disclosed
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN disclosed
CN-109336732-A Method for producing 2, 6-dichlorobenzylidene dichloride and co-producing 2, 6-dichlorotoluene 南京工业大学 2019-02-15 CN disclosed
CN-105829304-A N, n substituted piperidinamine compounds, and preparation method and usage thereof 中国人民解放军军事医学科学院毒物药物研究所 2016-08-03 CN disclosed
CN-103483263-B Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use MERIAL LTD. (US) 2016-04-13 CN disclosed
CN-103483263-A Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use MERIAL LTD 2014-01-01 CN disclosed
CN-103254197-A Preparation method of anagrelide hydrochloride UNIV HEILONGJIANG 2013-08-21 CN disclosed
EP-0044595-A1 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-27 EP disclosed
US-4297519-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
EP-0003981-B1 PROCESS FOR THE PREPARATION OF 2-NITROBENZALDEHYDE BAYER AG (DE) 1981-01-07 EP disclosed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
EP-0003981-A1 Process for the preparation of 2-nitrobenzaldehyde BAYER AG (DE) 1979-09-19 EP disclosed
US-4098831-A NITROBENZOTRICHLORIDE OR BROMIDE PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-07-04 US disclosed