SCHEMBL9710290

SCHEMBL9710290

Cc1cccc(SC(=O)c2ccccc2)c1CNC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
GAA P10253 2/20 0.42
CCR5 P51681 1/20 0.42
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9710275 0.84 LMNA (0.59) HPGDALDH1A1LMNAMAPTKDM4E
SCHEMBL9710291 0.84 LMNA (0.43) HPGDALDH1A1LMNAPOLBNPC1
SCHEMBL9710201 0.83 HTT (0.50) HPGDALDH1A1LMNAMAPTPOLB
SCHEMBL8400125 0.76 POLB (0.59) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL13947260 0.73 POLB (0.57) HPGDALDH1A1LMNAMAPTKDM4E
SCHEMBL4521046 0.71 ALDH1A1 (1.00) HPGDALDH1A1LMNAMAPTKDM4E
SCHEMBL24269642 0.70 HPGD (0.58) HPGDALDH1A1LMNAPOLBMEN1
SCHEMBL5648574 0.70 LMNA (0.75) HPGDALDH1A1LMNAMAPTKDM4E
SCHEMBL9710046 0.69 DDR1 (0.55) HPGDALDH1A1LMNAMAPTNPC1
SCHEMBL9710223 0.69 ALDH1A1 (0.47) HPGDALDH1A1LMNAMAPTNPC1

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