SCHEMBL4650010

SCHEMBL4650010

COc1ccc2nc(SCc3ccccc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 17/20 1.00
CYP2C8 P10632 17/20 1.00
CYP2D6 P10635 17/20 1.00
CYP2C9 P11712 17/20 1.00
CYP2B6 P20813 17/20 1.00
CYP2C19 P33261 17/20 1.00
CYP3A4 P08684 16/20 0.84
CYP1A2 P05177 15/20 0.82
BRS3 P32247 1/20 0.79
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
KMT2A Q03164 1/20 0.72
RELA Q04206 1/20 0.72
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71

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
SCHEMBL4650009 0.90 CYP2E1 (0.81) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL29429796 0.88 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6481746 0.87 CYP2E1 (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2734131 0.86 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693642 0.84 RAB9A (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL8277910 0.84 CYP2E1 (0.74) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2246151 0.84 RAB9A (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL11686394 0.83 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1064755 0.82 CYP2E1 (0.82) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Bromide SCHEMBL1064752 0.81 CYP2E1 (0.80) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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
EP-1658099-B1 COMPOUNDS AND KITS FOR PREPARING IMAGING AGENTS AND METHODS OF IMAGING GEN ELECTRIC (US) 2008-09-10 EP disclosed
EP-1658099-A1 COMPOUNDS AND KITS FOR PREPARING IMAGING AGENTS AND METHODS OF IMAGING General Electric Company (US) 2006-05-24 EP disclosed
WO-2005023317-A1 COMPOUNDS AND KITS FOR PREPARING IMAGING AGENTS AND METHODS OF IMAGING GENERAL ELECTRIC COMPANY (US) 2005-03-17 WO disclosed
US-20050049487-A1 Compounds and kits for preparing imaging agents and methods of imaging GENERAL ELECTRIC COMPANY 2005-03-03 US disclosed