SCHEMBL7430294

SCHEMBL7430294

CN(C)c1ccc(NC(=O)CCc2ccccc2CS)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
KCNB1 Q14721 3/20 0.44
KCNB2 Q92953 1/20 0.44
MCL1 Q07820 2/20 0.43
BCL2A1 Q16548 1/20 0.43
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7430848 0.85 GAA (0.42) GAAALDH1A1ALOX15KCNB1KCNB2
SCHEMBL7426875 0.83 KDM4C (0.52) GAAALDH1A1ALOX15MCL1BCL2A1
SCHEMBL7426816 0.82 ALDH1A1 (0.47) GAAALDH1A1MCL1BCL2A1MAPT
SCHEMBL7433435 0.81 KMT2A (0.52) GAAALDH1A1ALOX15MCL1BCL2A1
SCHEMBL7428063 0.80 MAPT (0.44) GAAALDH1A1MCL1BCL2A1MAPT
SCHEMBL7432052 0.77 KDM4E (0.65) GAAALDH1A1MCL1BCL2A1MAPT
SCHEMBL7439101 0.76 CA12 (0.52) GAAALDH1A1MAPTHTT
SCHEMBL7436440 0.76 SMN1; SMN2 (0.56) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL7434461 0.75 SMN1; SMN2 (0.55) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL4657193 0.74 FFAR1 (0.52) GAAALDH1A1ALOX15MCL1BCL2A1

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed