SCHEMBL5771480

SCHEMBL5771480

CC(C)S(=O)(=O)n1c(NC2CCN(Cc3ccccc3)CC2)nc2ccc(C=N)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.47
ACHE P22303 2/20 0.42
BCHE P06276 1/20 0.42
KMT2A Q03164 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NSD2 O96028 5/20 0.40
PDE5A O76074 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5767550 0.76 MAPK14 (0.38)
SCHEMBL5773725 0.72 MAPK14 (0.42) MAPTALDH1A1
SCHEMBL5774512 0.71 ALDH1A1 (0.40) KMT2ALMNAMAPTNPSR1PDE5A
SCHEMBL5770827 0.71 TP53 (0.48) KMT2ALMNAMAPTHTTNPSR1
SCHEMBL8293200 0.69 SSTR5 (0.53) SSTR5KMT2ALMNAMAPTHTT
SCHEMBL5773665 0.68 PI4KB (0.54)
SCHEMBL18058953 0.65 THRB (0.50) KMT2ALMNAMAPTHTTNPSR1
SCHEMBL6335815 0.65 HTT (0.67) ACHEBCHEKMT2AMAPTHTT
SCHEMBL4227761 0.64 ACHE (0.57) ACHEBCHEHTTSMN1; SMN2
SCHEMBL13319055 0.63 SSTR5 (0.68) SSTR5KMT2ALMNAMAPTNTSR1

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-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed