SCHEMBL19554287

SCHEMBL19554287

CCOC(=O)c1cc(Cl)c(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
IDO1 P14902 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 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
SCHEMBL16528370 0.94 KDM4E (0.46) CFTRKDM4EALDH1A1HSD17B10CA1
SCHEMBL23040878 0.84 CFTR (0.68) CFTRKDM4EALDH1A1HSD17B10GAA
SCHEMBL16529387 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL16528915 0.79 KDM4E (0.45) CFTRKDM4EALDH1A1HSD17B10IDO1
SCHEMBL29417318 0.79 CFTR (0.45) CFTRKDM4EALDH1A1HSD17B10
SCHEMBL23040875 0.79 CFTR (0.45) CFTRKDM4EALDH1A1HSD17B10
SCHEMBL16528088 0.78 KDM4E (0.44) CFTRKDM4EALDH1A1HSD17B10IDO1
SCHEMBL9573792 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL16637057 0.78 CFTR (0.64) CFTRKDM4EALDH1A1HSD17B10GAA
SCHEMBL7471868 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10CA1CA2

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed