Propane

Propane

SCHEMBL10550447

CCC.CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CCC(CN)C3)c(F)c21

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
CACNA1F O60840 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
TOP1 P11387 9/20 0.48
FOXO1 Q12778 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PMP22 Q01453 1/20 0.46
SLC2A1 P11166 1/20 0.43
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PRKCD Q05655 1/20 0.41

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
SCHEMBL9689732 0.99 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10509057 0.91 KDM4E (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10684793 0.91 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10369147 0.89 KCNH2 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10683743 0.87 POLB (0.52) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688244 0.87 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688756 0.87 FOXO1 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689834 0.87 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688393 0.87 FOXO1 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9687744 0.87 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US claimed