SCHEMBL18708598

SCHEMBL18708598

C=C(CNCc1cc(C(=O)N2CCOC2=O)ccn1)N(CC)CCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.54
▸ KDM5C P41229 8/20 0.54
▸ KDM5A P29375 7/20 0.54
▸ KDM4A O75164 2/20 0.54
▸ KDM6B O15054 1/20 0.54
▸ KDM2B Q8NHM5 1/20 0.54
▸ KDM4C Q9H3R0 2/20 0.53
▸ KDM5D Q9BY66 1/20 0.53
▸ ACKR3 P25106 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ NAAA Q02083 1/20 0.36

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
SCHEMBL15639137 0.91 KDM5B (0.66) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708312 0.81 KDM5B (0.80) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL28442739 0.76 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676505 0.76 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676475 0.76 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676454 0.74 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708205 0.74 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676523 0.73 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708513 0.73 KDM5B (0.59) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708207 0.72 KDM5B (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
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