SCHEMBL4029082

SCHEMBL4029082

Cc1onc(-c2ccccc2)c1N(C(=O)O)[C@H](C)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.43
GPBAR1 Q8TDU6 3/20 0.43
MEN1 O00255 2/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4028916 1.00 GAA (0.45) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4029400 0.94 ALDH1A1 (0.43) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4034254 0.92 KMT2A (0.44) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4033798 0.91 MEN1 (0.43) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4032705 0.91 GPBAR1 (0.48) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4037046 0.90 KMT2A (0.43) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4033782 0.89 MAPK1 (0.42) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL4037549 0.88 NPSR1 (0.47) GAAALDH1A1NPSR1KMT2AGPBAR1
SCHEMBL4034655 0.87 GPBAR1 (0.49) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL4037102 0.87 GPBAR1 (0.49) GAAALDH1A1LMNAMAPTNPSR1

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