SCHEMBL1414529

SCHEMBL1414529

N#CSCSc1nc2c(I)cccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
PSMB8 P28062 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C9 P11712 1/20 0.33
STAT6 P42226 1/20 0.33
IDO1 P14902 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 2/20 0.31

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
SCHEMBL29352673 0.77 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL8887013 0.77 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL54175 0.77 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Thiocyanic Acid SCHEMBL8734334 0.73 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL8734335 0.73 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Dimethylamine SCHEMBL8652976 0.72 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL7622009 0.71 PSMB8 (0.51) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
2-Mercaptobenzothiazole SCHEMBL8153954 0.70 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Urea SCHEMBL28131099 0.70 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Di(Hydroxyethyl)Ether SCHEMBL9867190 0.68 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1

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-2294148-A1 BINDER FOR ANTIFOULING COATING COMPOSITION AND ANTIFOULING COATING COMPOSITION COMPRISING BINDER Jotun A/S (NO) 2011-03-16 EP disclosed
EP-2173780-A1 BRANCHED POLYMER AND ANTIFOULING COATING COMPOSITION COMPRISING THE POLYMER Jotun A/S (NO) 2010-04-14 EP disclosed
WO-2009149919-A1 BINDER FOR ANTIFOULING COATING COMPOSITION AND ANTIFOULING COATING COMPOSITION COMPRISING BINDER JOTUN A/S (NO) 2009-12-17 WO disclosed
WO-2009007276-A1 BRANCHED POLYMER AND ANTIFOULING COATING COMPOSITION COMPRISING THE POLYMER JOTUN A/S (NO) 2009-01-15 WO disclosed