SCHEMBL4034797

SCHEMBL4034797

Cc1onc(-c2ccccc2)c1N(C(=O)O)C(C)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GABRA5 P31644 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL4028127 1.00 NPSR1 (0.45) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4037549 0.88 NPSR1 (0.47) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4028916 0.86 GAA (0.45) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4029082 0.86 GAA (0.45) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4036403 0.86 NPSR1 (0.45) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4038201 0.84 NPSR1 (0.49) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4031104 0.84 NPSR1 (0.49) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4037007 0.84 NPSR1 (0.49) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4037046 0.81 KMT2A (0.43) NPSR1KMT2AMEN1GAAALDH1A1
SCHEMBL4029400 0.81 ALDH1A1 (0.43) NPSR1KMT2AMEN1GAAALDH1A1

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