SCHEMBL9280807

SCHEMBL9280807

C=CCSCc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.69
CYP2C19 P33261 4/20 0.69
CYP2C9 P11712 2/20 0.69
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
CYP2D6 P10635 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ACP3 P15309 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
SCHEMBL8533980 0.85 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL9456743 0.82 CYP1A2 (1.00) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL11666602 0.80 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9
SCHEMBL7520769 0.79 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL30083984 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL25106 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL271106 0.75 CYP1A2 (0.69) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL8098004 0.74 MEN1 (0.38) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL45129 0.74 HSPA5 (0.45) ALDH1A1HPGDCYP2D6SMN1; SMN2
Triphenylene SCHEMBL28111562 0.74 SMN1; SMN2 (0.58) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD

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
EP-0393893-B1 Sulfonium compound and polymerisation initator comprising the sulfonium compound as the main ingredient SANSHIN KAGAKU KOGYO KK (JP) 1995-01-11 EP disclosed
EP-0393893-A1 Sulfonium compound and polymerisation initator comprising the sulfonium compound as the main ingredient SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed