SCHEMBL498579

SCHEMBL498579

O=Cc1csc(-c2ccc(-c3cccs3)s2)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.55
ERN1 O75460 6/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL246872 0.89 ERN1 (0.45) DPP4ERN1ALDH1A1KDM4EGAA
SCHEMBL16835586 0.80 DPP4 (0.60) DPP4ERN1ALDH1A1KDM4EGAA
SCHEMBL14656756 0.78 ERN1 (0.39) DPP4ERN1ALDH1A1KDM4EGAA
SCHEMBL10551506 0.72 ERN1 (0.45) DPP4ERN1ALDH1A1KDM4EL3MBTL1
SCHEMBL23611278 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2742433 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13707354 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL1105086 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1
Alpha-Terthienyl SCHEMBL147274 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL499333 0.72 DPP4 (0.65) DPP4ALDH1A1KDM4EGAAL3MBTL1

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-8106038-B2 Method for reducing or preventing PDT related inflammation QLT INC. (CA) 2012-01-31 US disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 WO disclosed