SCHEMBL18708513

SCHEMBL18708513

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 16/20 0.59
▸ KDM5C P41229 10/20 0.59
▸ KDM5A P29375 7/20 0.59
▸ KDM4C Q9H3R0 2/20 0.59
▸ KDM4A O75164 4/20 0.55
▸ KDM6B O15054 1/20 0.55
▸ KDM2B Q8NHM5 1/20 0.55
▸ KDM5D Q9BY66 1/20 0.54
▸ KDM4B O94953 2/20 0.31
▸ WDR5 P61964 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL15637333 0.91 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676435 0.86 KDM5B (0.66) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676423 0.84 KDM5B (0.54) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676454 0.82 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708312 0.82 KDM5B (0.80) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291873 0.81 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708205 0.80 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15637019 0.78 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708207 0.78 KDM5B (0.58) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708535 0.77 KDM5B (0.47) KDM5BKDM5CKDM5AKDM4CKDM4A

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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