SCHEMBL4034254

SCHEMBL4034254

Cc1onc(-c2ccc(F)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
GPBAR1 Q8TDU6 4/20 0.44
ATM Q13315 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4029082 0.92 GAA (0.45) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4028916 0.92 GAA (0.45) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4029400 0.92 ALDH1A1 (0.43) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4032705 0.90 GPBAR1 (0.48) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4033798 0.88 MEN1 (0.43) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4037102 0.86 GPBAR1 (0.49) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4033782 0.86 MAPK1 (0.42) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4032656 0.85 MEN1 (0.48) KMT2AMEN1GPBAR1ALDH1A1LMNA
SCHEMBL4036403 0.84 NPSR1 (0.45) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL4032476 0.83 LPAR1 (0.43) KMT2AMEN1GPBAR1ATMALDH1A1

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