SCHEMBL4029577

SCHEMBL4029577

Cc1noc(-c2ccc(CSCc3ccco3)cc2)c1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LPAR1 Q92633 4/20 0.48
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 2/20 0.48
ALDH1A1 P00352 7/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4029548 0.84 ATM (0.57) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4028419 0.83 LPAR1 (0.51) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4042302 0.83 LPAR1 (0.47) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4029811 0.81 LPAR1 (0.57) TSHRLPAR1LPAR3LPAR2MAPT
SCHEMBL4034142 0.81 LPAR1 (0.54) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4033592 0.81 LPAR1 (0.75) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4029346 0.80 LPAR1 (0.55) LPAR1LPAR3LPAR2ALDH1A1MAPT
SCHEMBL4034447 0.79 LPAR1 (0.48) TSHRLPAR1LPAR3LPAR2ALDH1A1
SCHEMBL4036686 0.79 LPAR1 (0.52) LPAR1LPAR3LPAR2ALDH1A1MAPT
SCHEMBL3706068 0.75 MAPT (0.52) LPAR1LPAR3LPAR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed