SCHEMBL7474445

SCHEMBL7474445

O=C(O)c1csc(-c2c(OCc3ccccc3)ccc3ccccc23)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.52
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
HPGDS O60760 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7385149 0.87 RAB9A (0.49) PTGER1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7381559 0.80 PTGER1 (0.61) PTGER1HPGDSMMP2MMP13ALDH1A1
SCHEMBL15602916 0.76 PTGER1 (0.54) PTGER1HPGDSMMP2MMP13ALDH1A1
SCHEMBL14124904 0.75 PTGER1 (0.53) PTGER1HPGDSMMP2MMP13ALDH1A1
SCHEMBL26319777 0.75 MMP2 (0.52) PTGER1HPGDSMMP2MMP13
SCHEMBL27924176 0.75 MCL1 (0.60) HPGDSMMP2MMP13ALDH1A1
SCHEMBL2526976 0.75 ALDH1A1 (0.59) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29506850 0.75 RXRA (0.57) PTGER1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30929959 0.75 RXRA (0.57) PTGER1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7087561 0.74 PTGER1 (0.52) PTGER1MAPTMRGPRX4ALDH1A1LMNA

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
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed