SCHEMBL9875651

SCHEMBL9875651

CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCNC(C)C3)c(F)c(N)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
POLB P06746 2/20 0.62
CACNA1F O60840 1/20 0.62
MAPK1 P28482 1/20 0.62
CACNA1D Q01668 1/20 0.62
CACNA1S Q13698 1/20 0.62
CACNA1C Q13936 1/20 0.62
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
OPRM1 P35372 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9876052 0.87 MEN1 (0.49) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8667072 0.87 KCNH2 (0.80) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9875273 0.87 KCNH2 (0.79) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL6784057 0.83 KCNH2 (0.66) KCNH2POLBMEN1KMT2AKDM4E
SCHEMBL10777266 0.83 MEN1 (0.55) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL1344898 0.82 STAT3 (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9875522 0.81 KCNH2 (0.60) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL12156452 0.81 KCNH2 (0.70) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL13925384 0.81 KCNH2 (0.70) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9837304 0.81 KCNH2 (0.69) KCNH2POLBCACNA1FMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221463-B1 QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1991-08-14 EP disclosed
US-4795751-A 5-substituted-6,8-difluoroquinolines useful as antibacterial agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0221463-A2 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-05-13 EP disclosed