SCHEMBL11213347

SCHEMBL11213347

CC1COc2ccccc2N1CCC#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NR3C2 P08235 1/20 0.35
LTA4H P09960 3/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 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
SCHEMBL11211604 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11007300 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11213123 0.78 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11149870 0.78 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11217173 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11214418 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11348058 0.75 CHRM2 (0.48) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL15222055 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL680143 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL11219193 0.72 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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-4332937-A DYES FOR POLYACRYLONITRILE CIBA-GEIGY CORPORATION (US) 1982-06-01 US disclosed