SCHEMBL6967173

SCHEMBL6967173

[CH2]CNc1c(N)c(C)nn1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.31
GALR3 O60755 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30
GAA P10253 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
SCHEMBL27553866 0.85 KDM4E (0.32) KDM4E
SCHEMBL6934565 0.84 KDM4E (0.35) KDM4EMAPTGALR3HTTSMN1; SMN2
SCHEMBL5228462 0.82 KDM4E (0.34) KDM4EMAPTGALR3HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7110990 0.78 GAA (0.33) KDM4EGAA
SCHEMBL1801275 0.78 KDM4E (0.35) KDM4ECDK8ACVR1GAA
SCHEMBL1805254 0.77 GAA (0.36) KDM4EMAPTGALR3HTTSMN1; SMN2
SCHEMBL33611 0.75 KDM4E (0.37) KDM4EMAPTGALR3HTTSMN1; SMN2
SCHEMBL6938444 0.75 KDM4E (0.40) KDM4EPKMCDK8ACVR1GAA
Hydrochloric Acid SCHEMBL7113352 0.74 KDM4E (0.36) KDM4EMAPTGALR3HTTSMN1; SMN2
SCHEMBL7529939 0.73

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-1351939-A1 COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYES AND COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYE INTERMEDIATES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-10-15 EP disclosed
WO-2002055500-A1 COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYES AND COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYE INTERMEDIATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-07-18 WO disclosed