SCHEMBL8820902

SCHEMBL8820902

Cc1ccc(S(=O)(=O)N2CCCC(O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
TP53 P04637 6/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
DPP4 P27487 1/20 0.42
AVPR2 P30518 2/20 0.41
AVPR1A P37288 2/20 0.41
ABCB11 O95342 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL29325480 0.83 HTR6 (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7385171 0.81 EPHX2 (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7497164 0.81 EPHX2 (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7497168 0.81 EPHX2 (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL6958925 0.80 ALDH1A1 (0.47) MAPTMEN1KMT2AGAAGPR119
SCHEMBL25679165 0.79 MAPT (0.45) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20601907 0.79 MAPT (0.45) MAPTTP53LMNAMEN1KMT2A
SCHEMBL31585552 0.79 MAPT (0.45) MAPTTP53LMNAMEN1KMT2A
SCHEMBL30456238 0.77 MAPT (0.41) MAPTTP53LMNAMEN1KMT2A
SCHEMBL31585998 0.74 MAPT (0.56) MAPTTP53LMNAMEN1KMT2A

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
JP-9168396-A None JP disclosed
JP-H09168396-A PRODUCTION OF OPTICALLY ACTIVE 5-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZAZEPINE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1997-06-30 JP disclosed