SCHEMBL17364562

SCHEMBL17364562

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.49
▸ KDM5C P41229 8/20 0.49
▸ KDM5A P29375 7/20 0.49
▸ KDM4A O75164 2/20 0.49
▸ KDM6B O15054 1/20 0.49
▸ KDM2B Q8NHM5 1/20 0.49
▸ KDM4C Q9H3R0 2/20 0.48
▸ KDM5D Q9BY66 1/20 0.48
▸ MLYCD O95822 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 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
SCHEMBL15994311 0.94 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994313 0.94 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364564 0.89 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676485 0.87 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305498 0.85 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994048 0.85 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880295 0.82 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996136 0.82 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15996137 0.82 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880361 0.82 KDM5B (0.51) 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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