SCHEMBL18831148

SCHEMBL18831148

NC(=O)CNCc1cc(C=NC2CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 9/20 0.36
▸ KDM5C P41229 7/20 0.36
▸ KDM5A P29375 5/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM5D Q9BY66 1/20 0.36
▸ KDM4A O75164 3/20 0.34
▸ KDM4B O94953 2/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ KDM6B O15054 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SPHK2 Q9NRA0 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17984985 0.89 KDM5B (0.38) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL18860202 0.86 KDM5B (0.36) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16305524 0.86 KDM5B (0.36) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16006920 0.86 KDM5B (0.34) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16305495 0.85 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16303320 0.81 KDM4E (0.40) —
SCHEMBL15995309 0.81 KDM4E (0.40) —
SCHEMBL16293002 0.81 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16293837 0.80 KDM5B (0.37) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16293836 0.80 KDM5B (0.37) KDM5BKDM5CKDM5AKDM4CKDM5D

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
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
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