SCHEMBL25880602

SCHEMBL25880602

COc1cc(CNC(N)=O)ccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOX P28300 3/20 0.57
LOXL2 Q9Y4K0 3/20 0.57
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NR3C2 P08235 2/20 0.45
MMP13 P45452 2/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
EPHX2 P34913 1/20 0.43
TRPA1 O75762 1/20 0.43
KIT P10721 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC40A1 Q9NP59 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
SCHEMBL13734537 0.86 LOX (0.54) LOXLOXL2CDK2GSK3BALDH1A1
SCHEMBL25880555 0.84 KLKB1 (0.46) LOXLOXL2RECQLNR3C2CYP2C9
SCHEMBL19049394 0.84 LOX (0.51) LOXLOXL2CDK2GSK3BALDH1A1
SCHEMBL25880800 0.81 RECQL (0.42) LOXLOXL2CDK2GSK3BRECQL
SCHEMBL25880968 0.81 RECQL (0.42) LOXLOXL2RECQLNR3C2CYP2C9
SCHEMBL2788201 0.81 KDM5C (0.49) LOXLOXL2CDK2GSK3BMMP13
SCHEMBL18997629 0.81 HPGD (0.51) LOXLOXL2CDK2GSK3BALDH1A1
SCHEMBL19002539 0.81 EPHX2 (0.49) LOXLOXL2CDK2GSK3BALDH1A1
SCHEMBL31174780 0.81 RECQL (0.40) LOXLOXL2CDK2GSK3BRECQL
SCHEMBL25639248 0.81 RECQL (0.40) LOXLOXL2CDK2GSK3BRECQL

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