SCHEMBL20041968

SCHEMBL20041968

CCCCCCCC/N=C/c1ccnc(CNCC(=O)NCC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 10/20 0.38
▸ KDM5C P41229 7/20 0.38
▸ KDM5A P29375 6/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4A O75164 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM6B O15054 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5D Q9BY66 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL16292658 0.88 KDM5B (0.40) KDM5BKDM5CKDM5AMAPTKDM4A
SCHEMBL15994396 0.84 KDM5B (0.51) KDM5BKDM5CKDM5AMAPTKDM4A
SCHEMBL15994395 0.84 KDM5B (0.51) KDM5BKDM5CKDM5AMAPTKDM4A
SCHEMBL18880361 0.84 KDM5B (0.51) KDM5BKDM5CKDM5AMAPTKDM4A
SCHEMBL16294293 0.81 KDM5B (0.46) KDM5BKDM5CKDM5AMAPTKDM4A
SCHEMBL18880294 0.74 KDM5B (0.33) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880295 0.72 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293837 0.72 KDM5B (0.37) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293836 0.72 KDM5B (0.37) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364564 0.71 KDM5B (0.63) 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
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
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