SCHEMBL11226593

SCHEMBL11226593

CC(C)CC(C#N)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.42
KCNA5 P22460 6/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CCR1 P32246 1/20 0.39
KCNE1 P15382 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 3/20 0.37
CHRM2 P08172 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL27925029 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL10632634 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL27924998 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL27792007 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL10984015 0.79 GAA (0.45) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL16999005 0.78 TSHR (0.62) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL11713360 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL10955259 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL10638947 0.76 CHRM2 (0.44) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL9174859 0.76 FDPS (0.49) SMN1; SMN2MEN1GAAKMT2AALDH1A1

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-4356177-A Myocardium-protecting pyridine derivatives having an anti-arrhythmic activity and an activity as blood-platelets antiaggregants C.M. INDUSTRIES (FR) 1982-10-26 US disclosed