SCHEMBL7807632

SCHEMBL7807632

Cc1n[nH]c(C#N)c1CCBr

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31736680 0.67
SCHEMBL7807059 0.66 LMNA (0.33) KDM4EMAPK1MEN1KMT2A
SCHEMBL20475242 0.65 MAPK1 (0.55) KDM4EMAPK1MEN1ALDH1A1KMT2A
SCHEMBL30206047 0.64 KDM5A (0.34) SMN1; SMN2
Bromide SCHEMBL20475245 0.64 MAPK1 (0.53) KDM4EMAPK1MEN1ALDH1A1KMT2A
SCHEMBL16962884 0.63 DHODH (0.33) ALDH1A1
SCHEMBL11317106 0.61
SCHEMBL16832256 0.60 ADORA2A (0.39) KDM4EMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6211365 0.60 PDE4D (0.32) KDM4EMAPK1MEN1KMT2A
SCHEMBL1229075 0.58 TDP1 (0.30)

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