SCHEMBL13604243

SCHEMBL13604243

O=S(=O)(CSc1nc2ccccc2s1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP2D6 P10635 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP3A4 P08684 3/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HIF1A Q16665 1/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HSD17B10 Q99714 4/20 0.57
POLB P06746 2/20 0.56
APEX1 P27695 2/20 0.56
RECQL P46063 1/20 0.56
HPGD P15428 2/20 0.56

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
SCHEMBL19629382 0.83 APEX1 (0.66) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL10667283 0.77 ALDH1A1 (0.56) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL5837665 0.76 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL2072157 0.74 SMN1; SMN2 (1.00) CYP1A2CYP2C19MAPK1L3MBTL1ALDH1A1
SCHEMBL1286369 0.74 POLB (0.79) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL8414134 0.73 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL3077568 0.73 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL4758779 0.73 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL21675444 0.73 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL7155586 0.73 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed