SCHEMBL7818336

SCHEMBL7818336

CCCCN(C)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.42
KDM5A P29375 10/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
PHF8 Q9UPP1 4/20 0.40
KDM4A O75164 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
DNM1 Q05193 2/20 0.36

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
SCHEMBL27376019 0.81 CA12 (0.48) KDM4CKDM5ACA12CA1CA9
SCHEMBL28420750 0.79 CA12 (0.46) KDM4CKDM5ACA12CA1CA9
SCHEMBL28383235 0.79 CA12 (0.46) KDM4CKDM5ACA12CA1CA9
SCHEMBL7743897 0.76 CA12 (0.39) KDM4CKDM5ACA12CA1CA9
SCHEMBL4183494 0.73 GPR84 (0.44) KDM4CKDM5ACA12CA1CA9
SCHEMBL27678347 0.73 GPR84 (0.44) KDM4CKDM5ACA12CA1CA9
SCHEMBL27678349 0.73 GPR84 (0.44) KDM4CKDM5ACA12CA1CA9
SCHEMBL12344488 0.73 DNM1 (0.32) KDM4CKDM5ACA12CA1CA9
SCHEMBL21729582 0.72 CA12 (0.46) CA12CA1
Bicarbonate SCHEMBL1259653 0.70 DNM1 (0.57) KDM4CKDM5ACA12CA1CA9

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-1124827-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS Dow AgroSciences LLC (US) 2001-08-22 EP disclosed
WO-2000024739-A1 3-(SUBSTITUTED PHENYL)-5-(SUBSTITUTED HETEROCYCLYL)-1,2,4-TRIAZOLE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed