SCHEMBL7745153

SCHEMBL7745153

C=CC1(C(C#N)C(=O)NC(C)c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RPS6KB1 P23443 3/20 0.39
PRCP P42785 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
GRIN2B Q13224 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
ROCK2 O75116 2/20 0.35
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
KCNH2 Q12809 2/20 0.35
AKT3 Q9Y243 2/20 0.35

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
SCHEMBL7745418 0.85 MEN1 (0.45) GAAALDH1A1KMT2AMEN1
SCHEMBL7745141 0.83 GAA (0.47) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7747996 0.82 GAA (0.46) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL7745786 0.81 GAA (0.44) GAAHPGDSMN1; SMN2RPS6KB1PRCP
SCHEMBL10338496 0.71 PRCP (0.42) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7057533 0.70 GAA (0.54) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7740575 0.68 MEN1 (0.48) GAAALDH1A1KMT2AMEN1GPR139
SCHEMBL19652081 0.68 GAA (0.57) GAAHPGDSMN1; SMN2PRCPALDH1A1
SCHEMBL7748004 0.67 MEN1 (0.47) GAAALDH1A1KMT2AMEN1
SCHEMBL8445691 0.67 ACACB (0.55) GAAHPGDSMN1; SMN2PRCPALDH1A1

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
WO-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed