SCHEMBL17772458

SCHEMBL17772458

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)c1ccnc(CNCC(=O)N(CCN(C)C(I)(I)I)CC(I)(I)I)c1)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.53
▸ KDM5C P41229 8/20 0.49
▸ KDM5A P29375 7/20 0.49
▸ KDM4C Q9H3R0 2/20 0.49
▸ KDM4A O75164 2/20 0.46
▸ KDM6B O15054 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ KDM5D Q9BY66 1/20 0.41
▸ TLR2 O60603 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL15636393 0.87 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676377 0.83 KDM5B (0.63) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15636559 0.82 KDM5B (0.66) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19676437 0.79 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291763 0.78 KDM5B (0.47) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16925985 0.77 KDM5B (0.61) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL18708527 0.77 KDM5B (0.58) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL19565446 0.77 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16291629 0.77 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL16912748 0.75 KDM5B (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
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