Quinoline

Quinoline

SCHEMBL5874815

O=C(O)CCC(=O)O.c1ccc2ncccc2c1.c1ccc2ncccc2c1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

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 4/20 0.65
PRNP P04156 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
POLB P06746 2/20 0.50
MAPK10 P53779 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
PABPC1 P11940 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SHMT2 P34897 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MGAM O43451 2/20 0.44

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 SCHEMBL4733766 1.00 ALDH1A1 (0.65) ALDH1A1PRNPRXFP1POLBMAPK10
Adipic Acid SCHEMBL5875328 0.93 ALDH1A1 (0.61) ALDH1A1PRNPRXFP1MAPK10NPSR1
Adipic Acid SCHEMBL5875340 0.93 ALDH1A1 (0.61) ALDH1A1PRNPRXFP1MAPK10NPSR1
Quinoline SCHEMBL5874797 0.93 ALDH1A1 (0.61) ALDH1A1PRNPRXFP1POLBMAPK10
Quinoline SCHEMBL5874806 0.93 ALDH1A1 (0.61) ALDH1A1PRNPRXFP1POLBMAPK10
Adipic Acid SCHEMBL28641209 0.93 ALDH1A1 (0.61) ALDH1A1PRNPRXFP1MAPK10NPSR1
Sebacic Acid SCHEMBL5875076 0.91 ALDH1A1 (0.59) ALDH1A1PRNPRXFP1MAPK10NPSR1
Quinoline SCHEMBL28689937 0.91 ALDH1A1 (0.59) ALDH1A1PRNPRXFP1POLBMAPK10
Sebacic Acid SCHEMBL5875085 0.91 ALDH1A1 (0.59) ALDH1A1PRNPRXFP1MAPK10NPSR1
Quinoline SCHEMBL5874503 0.90 ALDH1A1 (0.57) ALDH1A1PRNPRXFP1POLBMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed