SCHEMBL19631951

SCHEMBL19631951

O=C(O)c1ccnc(C(=O)CBr)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 7/20 0.67
▸ KDM5C P41229 6/20 0.67
▸ KDM4A O75164 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ KDM5B Q9UGL1 4/20 0.67
▸ ALKBH5 Q6P6C2 4/20 0.67
▸ KDM6B O15054 4/20 0.67
▸ KDM2A Q9Y2K7 4/20 0.67
▸ KDM3A Q9Y4C1 4/20 0.67
▸ KDM4C Q9H3R0 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ KDM4D Q6B0I6 2/20 0.67
▸ TET3 O43151 1/20 0.67
▸ BBOX1 O75936 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ KDM5A P29375 1/20 0.67
▸ ASPH Q12797 1/20 0.67
▸ TET2 Q6N021 1/20 0.67
▸ KDM7A Q6ZMT4 1/20 0.67
▸ KDM8 Q8N371 1/20 0.67

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
SCHEMBL19631973 0.82 FTO (0.67) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL72377 0.81 KDM5C (1.00) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL29382783 0.81 KDM5C (1.00) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL17144228 0.80 KDM4E (0.53) FTOKDM5CKDM4AKDM4EKDM5B
Water SCHEMBL2650345 0.79 KDM5C (0.96) FTOKDM5CKDM4AKDM4EKDM5B
Hydrochloric Acid SCHEMBL10778857 0.79 KDM5C (0.96) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL2276257 0.79 KDM5C (0.96) FTOKDM5CKDM4AKDM4EKDM5B
Hydrochloric Acid SCHEMBL9361001 0.79 KDM5C (0.96) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL9585979 0.79 FTO (0.96) FTOKDM5CKDM4AKDM4EKDM5B
SCHEMBL28454743 0.79 KDM5C (0.96) FTOKDM5CKDM4AKDM4EKDM5B

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-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
Send feedback