SCHEMBL25880976

SCHEMBL25880976

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
LOXL2 Q9Y4K0 7/20 0.36
LOX P28300 6/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C2 P08235 4/20 0.34
KLKB1 P03952 2/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL25880834 0.88 RECQL (0.41) RECQLLOXL2LOXCYP2C9CYP2C19
SCHEMBL31174780 0.86 RECQL (0.40) RECQLLOXL2LOXCYP2C9CYP2C19
SCHEMBL25639248 0.86 RECQL (0.40) RECQLLOXL2LOXCYP2C9CYP2C19
SCHEMBL25254442 0.82 L3MBTL1 (0.41) RECQL
SCHEMBL25880968 0.82 RECQL (0.42) RECQLLOXL2LOXCYP2C9CYP2C19
SCHEMBL25624600 0.80 ALDH1A1 (0.37) LOXL2LOXACACB
SCHEMBL25616565 0.79 ALDH1A1 (0.36) LOXL2LOXACACB
SCHEMBL25612459 0.79 EPHX1 (0.55)
SCHEMBL25228923 0.78 LOXL2 (0.54) LOXL2LOX
SCHEMBL30569972 0.78 EPHX2 (0.45) RECQLLOXL2LOXCYP2C9CYP2C19

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