SCHEMBL25880800

SCHEMBL25880800

NC(=O)NCc1ccnc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
NR3C2 P08235 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOXL2 Q9Y4K0 4/20 0.39
LOX P28300 3/20 0.39
NAMPT P43490 2/20 0.38
HTR2C P28335 1/20 0.38
MAPK14 Q16539 1/20 0.38
KLKB1 P03952 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
P2RX7 Q99572 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL30569972 0.85 EPHX2 (0.45) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL22324220 0.85 EPHX2 (0.45) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL31481235 0.81 GABRP (0.41) NR3C2LOXL2LOXAURKA
SCHEMBL25880602 0.81 LOX (0.57) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL25880968 0.81 RECQL (0.42) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL25880834 0.80 RECQL (0.41) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL31424999 0.78 LOXL2 (0.57) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL25638990 0.78 LOXL2 (0.57) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL25880555 0.78 KLKB1 (0.46) RECQLNR3C2CYP2C9CYP2C19LOXL2
SCHEMBL31174780 0.77 RECQL (0.40) RECQLNR3C2CYP2C9CYP2C19LOXL2

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-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO disclosed