SCHEMBL3817533

SCHEMBL3817533

O=C(O)C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C(S)Cc2ccco2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HPGD P15428 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 8/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL3810184 0.86 MAPT (0.40) MAPTHPGDRAB9ANPC1PTGS1
SCHEMBL3817576 0.81 RAB9A (0.47) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL3811833 0.80 MAPT (0.52) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL3810180 0.80 MAPT (0.47) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL27573189 0.80 KMT2A (0.35) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL3813294 0.79 NPC1 (0.46) MAPTHPGDRAB9ANPC1PTGS1
SCHEMBL3809482 0.77 KMT2A (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3812073 0.75 MEN1 (0.35) MAPTRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL27573190 0.74 ALDH1A1 (0.43) MAPTHPGDRAB9ANPC1PTGS1
SCHEMBL3808063 0.70 ALDH1A1 (0.34) MAPTRAB9AALDH1A1SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341786-B9 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-1341786-B1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN GRUENENTHAL GMBH (DE) 2008-12-24 EP claimed