SCHEMBL25880555

SCHEMBL25880555

CC(C)Oc1cc(CNC(N)=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.46
ACACB O00763 3/20 0.45
RECQL P46063 1/20 0.42
ACACA Q13085 1/20 0.42
KLK1 P06870 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOX P28300 6/20 0.39
LOXL2 Q9Y4K0 6/20 0.39
NR3C2 P08235 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 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
SCHEMBL25880968 0.86 RECQL (0.42) KLKB1RECQLCYP2C9CYP2C19LOX
SCHEMBL25880602 0.84 LOX (0.57) RECQLCYP2C9CYP2C19LOXLOXL2
SCHEMBL31174780 0.83 RECQL (0.40) KLKB1ACACBRECQLCYP2C9CYP2C19
SCHEMBL25639248 0.83 RECQL (0.40) KLKB1ACACBRECQLCYP2C9CYP2C19
SCHEMBL25639549 0.80 LOXL2 (0.39) KLKB1RECQLLOXLOXL2NR3C2
SCHEMBL25880834 0.80 RECQL (0.41) ACACBRECQLCYP2C9CYP2C19LOX
SCHEMBL25880800 0.78 RECQL (0.42) KLKB1RECQLCYP2C9CYP2C19LOX
SCHEMBL30569972 0.77 EPHX2 (0.45) KLKB1RECQLCYP2C9CYP2C19LOX
SCHEMBL22324220 0.77 EPHX2 (0.45) KLKB1RECQLCYP2C9CYP2C19LOX
SCHEMBL25880830 0.77 LOXL2 (0.61) LOXLOXL2

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