SCHEMBL4029548

SCHEMBL4029548

Cc1noc(-c2ccc(CNCc3ccco3)cc2)c1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
TSHR P16473 3/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LPAR1 Q92633 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
TP53 P04637 1/20 0.43
LPAR2 Q9HBW0 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.40

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
SCHEMBL4042302 0.84 LPAR1 (0.47) ATMTSHRUSP2ALOX15HSD17B10
SCHEMBL4029577 0.84 TSHR (0.52) TSHRUSP2ALOX15HSD17B10LPAR1
SCHEMBL4037667 0.83 LPAR1 (0.48) LPAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4030210 0.81 LPAR1 (0.70) ATMTSHRALOX15HSD17B10LPAR1
SCHEMBL4029454 0.80 MAPT (0.46) LPAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4032063 0.80 LPAR1 (0.47) LPAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3706068 0.76 MAPT (0.52) LPAR1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4035059 0.76 ALDH1A1 (0.51) ATMLPAR1KMT2AMEN1SMN1; SMN2
SCHEMBL4035675 0.75 MAPT (0.67) TSHRLPAR1KMT2AMEN1SMN1; SMN2
SCHEMBL4031792 0.75 KDM4E (0.45) LPAR1KMT2AMEN1SMN1; SMN2MAPT

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