SCHEMBL13257646

SCHEMBL13257646

CC(CCc1ccccc1)NC(=O)c1cccc(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 1/20 0.65
HSP90AA1 P07900 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
LMNA P02545 2/20 0.58
TAS1R3 Q7RTX0 2/20 0.57
TAS1R1 Q7RTX1 2/20 0.57
GPR139 Q6DWJ6 1/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 2/20 0.52

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
SCHEMBL13257659 1.00 HPGD (0.69) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13257616 0.88 ALDH1A1 (0.54) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13483218 0.82 CNR1 (0.57) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL24567732 0.82 ACACB (0.60) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13753578 0.82 GPR139 (0.56) HPGDKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13257657 0.81 HPGD (0.71) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13257653 0.81 HPGD (0.71) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13257710 0.81 HPGD (0.71) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13257828 0.81 ALDH1A1 (0.53) HPGDKMT2ASMN1; SMN2HTTKDM4E
SCHEMBL13257604 0.81 HPGD (0.74) HPGDKMT2AMEN1SMN1; SMN2HTT

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-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 WO disclosed