SCHEMBL4585879

SCHEMBL4585879

Cc1ccsc1-c1ccsc1-c1ccsc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.40
CYP2A6 P11509 7/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
S1PR4 O95977 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4586854 0.98 CYP2A6 (0.40) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL723960 0.86 CYP2A6 (0.44) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL992407 0.84 ALDH1A1 (0.36) PTPRCCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL22763310 0.84 PTPRC (0.41) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL22734772 0.84 PTPRC (0.41) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL22763791 0.84 PTPRC (0.41) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL22734786 0.84 PTPRC (0.41) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
SCHEMBL22734807 0.84 PTPRC (0.41) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19
Benzene SCHEMBL28459864 0.84 CYP2A6 (0.43) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL723565 0.83 CYP2A6 (0.40) PTPRCCYP2A6CYP3A4CYP2B6CYP2C19

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
US-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed