SCHEMBL21716672

SCHEMBL21716672

CCOC(O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.66
▸ KDM5C P41229 8/20 0.66
▸ KDM5A P29375 7/20 0.66
▸ KDM4A O75164 2/20 0.66
▸ KDM6B O15054 1/20 0.66
▸ KDM2B Q8NHM5 1/20 0.66
▸ KDM4C Q9H3R0 2/20 0.65
▸ KDM5D Q9BY66 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACKR3 P25106 2/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL21717736 0.83 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364565 0.81 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994347 0.80 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19574688 0.80 KDM5B (0.69) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15637682 0.80 KDM5B (0.86) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293178 0.79 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18880308 0.79 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994214 0.79 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636679 0.79 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15637431 0.79 KDM5B (1.00) 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
WO-2020033377-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-13 — — WO disclosed
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