Quinoline

Quinoline

SCHEMBL542500

COS(=O)(=O)O.c1ccc2ncccc2c1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Quinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK1 P53350 1/20 0.41
SLC40A1 Q9NP59 5/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 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
Quinoline SCHEMBL3914662 0.89 ALDH1A1 (0.65) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL28178476 0.87 ALDH1A1 (0.63) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL27764565 0.87 ALDH1A1 (0.63) ALDH1A1HTTALOX15KDM4ELMNA
Quinoline SCHEMBL9565056 0.87 ALDH1A1 (0.63) ALDH1A1HTTALOX15KDM4ELMNA
Quinoline SCHEMBL9374715 0.87 ALDH1A1 (0.68) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL21535 0.87 ALDH1A1 (0.74) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL5874241 0.87 ALDH1A1 (0.74) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL28261411 0.87 ALDH1A1 (0.74) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL29710686 0.87 ALDH1A1 (0.74) ALDH1A1HTTALOX15KDM4EALOX12
Quinoline SCHEMBL28142303 0.87 ALDH1A1 (0.74) ALDH1A1HTTALOX15KDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632143-B The cycle the preparation method of N-methylmorpholine 浙江大学 2018-09-07 CN disclosed
CN-105228739-A Continuous process for preparing polyoxazolines BASF SE 2016-01-06 CN disclosed
EP-1330456-B8 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-02-08 EP disclosed
CN-101730518-A Highly charged microcapsule AQUEA SCIENT CORP 2010-06-09 CN disclosed
CN-1973388-A Use of ceramic separators in lithium ion batteries with electrolytes containing ionic liquids DEGUSSA (DE) 2007-05-30 CN disclosed
EP-1330456-A2 N8,N13 -DISUBSTITUTED QUINO 4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2003-07-30 EP disclosed
CN-1371270-A Cosmetic method PROCTER & GAMBLE (US) 2002-09-25 CN disclosed
CN-1371274-A Cosmetic composition PROCTER & GAMBLE (US) 2002-09-25 CN disclosed
WO-2002030932-A2 N8,N13-DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-04-18 WO disclosed
EP-0328319-B1 Quaternary quinolinium compounds EXXON RESEARCH ENGINEERING CO (US) 1994-09-28 EP disclosed
EP-0531033-A1 Corrosion inhibitor composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-03-10 EP disclosed
CN-1066680-A NONIONIC SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1992-12-02 CN disclosed
US-5158693-A Oligoquinolinium metal oxide salts as sulfur corrosion inhibitors EXXON RESEARCH AND ENGINEERING CO. (US) 1992-10-27 US disclosed
US-4880907-A CORROSION RESISTANCE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-11-14 US disclosed
EP-0328319-A1 Quaternary quinolinium compounds EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-08-16 EP disclosed
EP-0000247-B1 WATER-ABSORBENT STARCH COPOLYMERISATES AND METHOD FOR THEIR PREPARATION. A.E. STALEY MANUFACTURING COMPANY (US) 1982-08-04 EP disclosed