SCHEMBL17364563

SCHEMBL17364563

CCC/N=C/c1ccnc(CNCC(=O)N(CC)CC2CCCN2C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 13/20 0.42
▸ KDM5C P41229 8/20 0.42
▸ KDM5A P29375 7/20 0.42
▸ KDM4A O75164 2/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM5D Q9BY66 1/20 0.41
▸ CNR2 P34972 2/20 0.33
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32
▸ KCNN4 O15554 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ SLC2A1 P11166 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
SCHEMBL16293261 0.95 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16303323 0.95 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293695 0.89 KDM5B (0.46) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364567 0.88 KDM5B (0.44) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL20041897 0.82 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364564 0.81 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994335 0.80 KDM5B (0.45) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994337 0.80 KDM5B (0.45) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880295 0.79 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880361 0.78 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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