SCHEMBL8488361

SCHEMBL8488361

Cc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1NC(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
KCNK3 O14649 3/20 0.45
KCNK9 Q9NPC2 3/20 0.45
PTGES O14684 10/20 0.44
F2R P25116 1/20 0.44
RAF1 P04049 1/20 0.43
PTGS1 P23219 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8488768 0.91 DYRK3 (0.41) RXFP1PTGESRAF1AURKAAURKB
SCHEMBL6537820 0.86 RXFP1 (0.45) RXFP1KCNK3KCNK9PTGESF2R
SCHEMBL8486940 0.84 PTGES (0.45) RXFP1KCNK3KCNK9PTGESTP53
SCHEMBL6538002 0.83 RXFP1 (0.45) RXFP1KCNK3KCNK9PTGESF2R
SCHEMBL8489178 0.82 MAPT (0.45) MAPT
SCHEMBL6538197 0.82 PTGES (0.43) RXFP1PTGESF2RTP53MAPT
SCHEMBL6537426 0.82 PTGES (0.50) RXFP1PTGES
SCHEMBL8486693 0.80 GSK3A (0.41) RAF1MAPT
SCHEMBL8490008 0.78 MAPT (0.43) AURKBMAPT
SCHEMBL8489721 0.78 ALDH1A1 (0.40)

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-1999021835-A1 QUINOLINE DERIVATIVES AS H+-ATPase INHIBITORS AND AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed