SCHEMBL19158982

SCHEMBL19158982

Oc1ncnc2c(-c3cn(CCCC4CCC4Cc4ccccc4)cn3)nccc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LTA4H P09960 1/20 0.30

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
SCHEMBL17503813 0.77 MCL1 (0.42) KDM4CKDM5AKDM5BKDM4EMEN1
SCHEMBL17503689 0.77 CYP2D6 (0.38) KDM4CKDM5AKDM5BMEN1KMT2A
SCHEMBL16128631 0.76 KDM4C (0.34) KDM4CKDM5AKDM5BLTA4H
SCHEMBL16128867 0.76 KDM5A (0.34) KDM4CKDM5AKDM5BKDM4EMAPT
SCHEMBL17503762 0.72 KDM5A (0.49) KDM4CKDM5AKDM5B
SCHEMBL17503744 0.70 KDM2B (0.39) KDM4CKDM5AKDM5B
SCHEMBL17503843 0.68 KDM4C (0.41) KDM4CKDM5AKDM5B
SCHEMBL17503790 0.67 KDM5B (0.36) KDM4CKDM5AKDM5B
SCHEMBL17503804 0.67 KDM4C (0.41) KDM4CKDM5AKDM5BKDM4E
SCHEMBL17503779 0.67 KDM5B (0.41) KDM4CKDM5AKDM5B

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-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
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