SCHEMBL19101736

SCHEMBL19101736

COc1ccccc1CNCCn1cnc(-c2cc(C(O)O)ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.53
▸ KDM4C Q9H3R0 1/20 0.53
▸ PHF8 Q9UPP1 1/20 0.48
▸ CHRM2 P08172 13/20 0.41
▸ BCHE P06276 5/20 0.41
▸ ACHE P22303 5/20 0.41
▸ CHRM4 P08173 5/20 0.41
▸ CHRM5 P08912 5/20 0.41
▸ CHRM1 P11229 5/20 0.41
▸ CHRM3 P20309 5/20 0.41
▸ GRIN1 Q05586 4/20 0.41
▸ GRIN2A Q12879 4/20 0.41
▸ RECQL P46063 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL19101681 0.87 KDM4C (0.44) KDM4AKDM4CPHF8
SCHEMBL19101675 0.86 KDM4C (0.52) KDM4AKDM4CPHF8
SCHEMBL16032896 0.83 KDM4C (0.77) KDM4AKDM4CPHF8
SCHEMBL19101685 0.82 PHF8 (0.48) KDM4AKDM4CPHF8MPO
SCHEMBL19101706 0.73 KDM5A (0.67) KDM4AKDM4CPHF8
SCHEMBL16033534 0.71 KDM5A (0.65) KDM4AKDM4C
SCHEMBL16075704 0.70 KDM5A (0.76) KDM4AKDM4C
SCHEMBL18579584 0.69 KDM4C (0.69) KDM4AKDM4CPHF8
SCHEMBL16035020 0.69 KDM4C (1.00) KDM4AKDM4CPHF8
SCHEMBL19139044 0.69 KDM2B (0.47) KDM4AKDM4C

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
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 — — US disclosed
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