SCHEMBL19615548

SCHEMBL19615548

O=C(O)c1ccnc(/C(COc2ccc(OCc3ccc(F)cc3)cc2)=N/O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
PPARA Q07869 6/20 0.52
KDM5A P29375 6/20 0.49
KDM4C Q9H3R0 6/20 0.49
KDM5B Q9UGL1 6/20 0.49
KDM2B Q8NHM5 1/20 0.49
MAOB P27338 2/20 0.46
PARP10 Q53GL7 1/20 0.46
GPR34 Q9UPC5 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL19631870 0.93 KDM4C (0.48) NR4A2PPARAKDM5AKDM4CKDM5B
SCHEMBL19615520 0.93 NR4A2 (0.61) NR4A2PPARAKDM5AKDM4CKDM5B
SCHEMBL19616535 0.91 NR4A2 (0.56) NR4A2PPARAKDM5AKDM4CKDM5B
SCHEMBL19615641 0.90 PLA2G4B (0.54) NR4A2KDM5AKDM4CKDM5BMAOB
SCHEMBL19632270 0.86 NR4A2 (0.61) NR4A2PPARAKDM5AKDM4CKDM5B
SCHEMBL19615441 0.83 NR4A2 (0.57) NR4A2MAOBPLA2G4B
SCHEMBL19615660 0.83 NR4A2 (0.60) NR4A2PPARAKDM5AKDM4CKDM5B
SCHEMBL19631994 0.82 KDM6B (0.51) NR4A2KDM5AKDM4CKDM5BPLA2G4B
SCHEMBL19615650 0.82 NR4A2 (0.52) NR4A2KDM5AKDM4CKDM5BPLA2G4B
SCHEMBL19615734 0.82 KDM4C (0.48) PPARAKDM5AKDM4CKDM5BKDM2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO claimed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed