SCHEMBL5837665

SCHEMBL5837665

c1ccc2sc(SCCSc3nc4ccccc4s3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 1.00
CYP2D6 P10635 3/20 1.00
CYP2C19 P33261 3/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 1/20 0.80
STAT6 P42226 1/20 0.80
MAPK1 P28482 2/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
HIF1A Q16665 1/20 0.79
HTR1A P08908 1/20 0.73
HTR2A P28223 1/20 0.73
HTR7 P34969 1/20 0.73
ALDH1A1 P00352 7/20 0.71
HSD17B10 Q99714 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HPGD P15428 3/20 0.71
POLB P06746 2/20 0.71
TSHR P16473 1/20 0.71
IDO1 P14902 1/20 0.69
FBP1 P09467 2/20 0.68

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
SCHEMBL6141647 0.91 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL29395006 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL10764021 0.89 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL9389929 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL8414134 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL9532439 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL266476 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL745752 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
Bromide SCHEMBL5084016 0.89 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL15501210 0.88 CYP1A2 (0.78) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070896-B2 Toner and process for producing toner ZEON CORPORATION (JP) 2006-07-04 US claimed
US-7070896-B2 Toner and process for producing toner ZEON CORPORATION (JP) 2006-07-04 US disclosed
US-20040072089-A1 Toner and process for producing toner ZEON CORPORATION (JP) 2004-04-15 US disclosed