SCHEMBL25880834

SCHEMBL25880834

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACACB O00763 5/20 0.39
LOXL2 Q9Y4K0 6/20 0.38
LOX P28300 5/20 0.38
PTGES O14684 3/20 0.36
NR3C2 P08235 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL31174780 0.90 RECQL (0.40) RECQLCYP2C9CYP2C19ACACBLOXL2
SCHEMBL25639248 0.90 RECQL (0.40) RECQLCYP2C9CYP2C19ACACBLOXL2
SCHEMBL25880976 0.88 RECQL (0.39) RECQLCYP2C9CYP2C19ACACBLOXL2
SCHEMBL25880968 0.85 RECQL (0.42) RECQLCYP2C9CYP2C19LOXL2LOX
SCHEMBL22324220 0.81 EPHX2 (0.45) RECQLCYP2C9CYP2C19LOXL2LOX
SCHEMBL30569972 0.81 EPHX2 (0.45) RECQLCYP2C9CYP2C19LOXL2LOX
SCHEMBL25880602 0.80 LOX (0.57) RECQLCYP2C9CYP2C19LOXL2LOX
SCHEMBL25880800 0.80 RECQL (0.42) RECQLCYP2C9CYP2C19LOXL2LOX
SCHEMBL25880555 0.80 KLKB1 (0.46) RECQLCYP2C9CYP2C19ACACBLOXL2
SCHEMBL25639296 0.79 ACACB (0.35) ACACBLOXL2LOXPTGESEPHX2

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