SCHEMBL306375

SCHEMBL306375

O=[N+]([O-])c1cc(Cl)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HIF1A Q16665 1/20 0.64
MAPK1 P28482 3/20 0.61
TSHR P16473 1/20 0.61
VCAM1 P19320 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
PDE7A Q13946 6/20 0.50
PDE7B Q9NP56 4/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF18A Q8NI77 1/20 0.49
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 2/20 0.47
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29580152 1.00 ALDH1A1 (0.64) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL27542809 0.92 VCAM1 (0.62) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL29485896 0.85 MAPK1 (0.64) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL29348 0.85 MAPK1 (0.64) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL3497277 0.84 ALDH1A1 (0.56) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL1524058 0.82 MAPK1 (0.72) ALDH1A1MAPK1TSHRVCAM1L3MBTL1
SCHEMBL11579276 0.80 ALDH1A1 (0.67) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL358730 0.80 MAPK1 (0.69) ALDH1A1MAPK1TSHRVCAM1L3MBTL1
SCHEMBL13285256 0.80 MAPK1 (0.42) ALDH1A1HIF1AMAPK1TSHRVCAM1
SCHEMBL6125034 0.80 MAPK1 (0.63) ALDH1A1MAPK1TSHRVCAM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800808-A Preparation method of 2, 4-dichloro fluorobenzene 帕潘纳(北京)科技有限公司 2024-04-02 CN claimed
CN-112724066-B Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2022-10-21 CN claimed
CN-112608303-B Piperazine intermediate, preparation method and application thereof 华南理工大学 2021-10-26 CN claimed
CN-112724066-A Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof 海南鑫开源医药科技有限公司 2021-04-30 CN claimed
CN-112608303-A Piperazine intermediate, preparation method and application thereof 华南理工大学 2021-04-06 CN claimed
CN-104402920-B A kind of method for synthesizing the chloroaniline of 2 halo, 3 pinacol borate 5 河南科技学院 2018-04-03 CN claimed
CN-104693036-A Process for separating and utilizing mixing components of o-, m-, and p-nitrochlorobenzene QINGDAO HUICHENG PETROCHEMICAL TECHNOLOGY CO LTD 2015-06-10 CN claimed
CN-101613286-A The separation of nitrobenzene chlorides and method of comprehensive utilization HUAIAN IACHENG CO LTD 2009-12-30 CN claimed
CN-101289396-A Process for separating and utilizing mixing components of o-, m-, and p-nitrochlorobenzene ZHEJIANG FUSHENG HOLDING GROUP (CN) 2008-10-22 CN claimed
CN-1357524-A Prepn process of 2,4-dichlorofluorobenzene KUNSHAN SHUANGHE PHARMACEUTICA (CN) 2002-07-10 CN claimed
CN-1075949-A The 2,4 dichloro fluorobenzene synthesis technique NANJING MEDICINE INST (CN) 1993-09-08 CN claimed
EP-0525019-A1 PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE PFIZER INC. (US) 1993-02-03 EP claimed
EP-0493030-A1 Preparation of difluorobenzenes RHONE-POULENC CHEMICALS LIMITED (GB) 1992-07-01 EP claimed
WO-1991016287-A1 PROCESS FOR PREPARATION OF 1,2,4-TRIFLUOROBENZENE AND 1-CHLORO-3,4-DIFLUOROBENZENE PFIZER INC. (US) 1991-10-31 WO claimed
WO-1991013847-A1 PROCESS FOR PREPARING CHLORO-DIFLUOROBENZENE ISC CHEMICALS LIMITED (GB) 1991-09-19 WO claimed
EP-0447259-A1 Process for preparing chloro-difluorobenzene ISC CHEMICALS LIMITED (GB) 1991-09-18 EP claimed
JP-1026538-A None JP disclosed
JP-6040969-A None JP disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US disclosed
US-3989827-A Antibacterial composition COLGATE-PALMOLIVE COMPANY (US) 1976-11-02 US disclosed