SCHEMBL20978848

SCHEMBL20978848

COc1ccccc1CNCCN1C=C(c2cc(C(=O)O)ccn2)NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.52
▸ KDM4A O75164 2/20 0.52
▸ BCHE P06276 4/20 0.40
▸ ACHE P22303 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ KDM3A Q9Y4C1 1/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ GRIN1 Q05586 2/20 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
SCHEMBL20978802 0.89 KDM4C (0.41) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20979029 0.87 KDM4C (0.50) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20978930 0.84 EPHX2 (0.41) KDM4CKDM4AKMT2AKDM4EKDM6B
SCHEMBL16032896 0.80 KDM4C (0.77) KDM4CKDM4AKDM5AKDM5B
SCHEMBL20978805 0.74 KDM5B (0.59) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20978918 0.74 KDM5B (0.54) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20978859 0.73 KDM2B (0.44) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20978804 0.71 KDM2B (0.63) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20978910 0.71 KDM5A (0.60) KDM4CKDM4AKDM4EKDM6BKDM5C
SCHEMBL20979006 0.70 JMJD6 (0.54) KDM4CKDM4AKDM4EKDM6BKDM5C

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-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
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