SCHEMBL17364564

SCHEMBL17364564

CCC/N=C/c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 15/20 0.63
▸ KDM5C P41229 9/20 0.63
▸ KDM5A P29375 7/20 0.63
▸ KDM4A O75164 3/20 0.63
▸ KDM6B O15054 1/20 0.63
▸ KDM2B Q8NHM5 1/20 0.63
▸ KDM4C Q9H3R0 2/20 0.62
▸ KDM5D Q9BY66 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KDM4B O94953 1/20 0.30

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
SCHEMBL15996137 0.93 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996136 0.93 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305526 0.91 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994272 0.91 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364562 0.89 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292749 0.89 KDM5B (0.56) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305543 0.89 KDM5B (0.56) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16292796 0.86 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16006901 0.86 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994214 0.86 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4AKDM6B

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-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
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