SCHEMBL21717736

SCHEMBL21717736

CCN(CCN(C)C)C(=O)CNCc1cc(C(O)Oc2ccc(OC(C)C)cc2OC(C)C)ccn1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.73
▸ KDM5C P41229 8/20 0.73
▸ KDM5A P29375 7/20 0.73
▸ KDM4A O75164 2/20 0.55
▸ KDM6B O15054 1/20 0.55
▸ KDM2B Q8NHM5 1/20 0.55
▸ KDM4C Q9H3R0 2/20 0.54
▸ KDM5D Q9BY66 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 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
SCHEMBL21716663 0.85 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL21716672 0.83 KDM5B (0.66) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL21716662 0.78 KDM5B (0.84) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16291539 0.75 KDM5B (0.77) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL21716669 0.75 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364565 0.73 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL21716659 0.73 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL26862853 0.72 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994347 0.72 KDM5B (0.73) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19574688 0.72 KDM5B (0.69) 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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