SCHEMBL9710313

SCHEMBL9710313

COc1ccc2c(c1)SCC(=O)NC2

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.61
MAOA P21397 2/20 0.61
LMNA P02545 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
RYR2 Q92736 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP19A1 P11511 1/20 0.41
HSD17B3 P37058 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SNCA P37840 1/20 0.39
ALDH1A1 P00352 2/20 0.39
METAP1 P53582 1/20 0.39
GAA P10253 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
SCHEMBL8120667 0.88 MAOA (0.57) MAOBMAOALMNAPDE3BPDE3A
SCHEMBL15631693 0.76 MAOB (1.00) MAOBMAOALMNAPDE3BPDE3A
SCHEMBL29673299 0.76 CMA1 (0.45) MAOBMAOAHTTHSD17B3METAP1
SCHEMBL9710025 0.76 PARP1 (0.39) MAOBMAOAHTTHSD17B3ALDH1A1
SCHEMBL13506283 0.74 PDE3B (0.55) MAOBMAOAPDE3BPDE3ACYP19A1
SCHEMBL5046308 0.73 PDE3B (0.54) MAOBMAOALMNAPDE3BPDE3A
SCHEMBL7439499 0.73 PDE3B (0.54) MAOBMAOALMNAPDE3BPDE3A
SCHEMBL30569562 0.73 HTT (0.56) MAOBMAOALMNAKDM4EHTT
SCHEMBL14691719 0.72 RYR2 (0.77) MAOBMAOALMNARYR2KDM4E
SCHEMBL705947 0.72 MAOB (0.79) MAOBMAOALMNAPDE3BPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021668-A1 BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS THE BOOTS COMPANY PLC (GB) 1992-12-10 WO claimed
WO-1992021668-A1 BENZOTHIAZEPINONES AND THEIR USE AS ANTICONVULSANTS THE BOOTS COMPANY PLC (GB) 1992-12-10 WO disclosed