SCHEMBL4029460

SCHEMBL4029460

Cc1onc(-c2ccccc2)c1NC(=O)O

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
NTRK1 P04629 2/20 0.57
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5527223 0.89 MEN1 (0.61) NPSR1TSHRHTTMAPTMEN1
SCHEMBL4037282 0.89 MAPT (0.52) NPSR1TSHRHTTMAPTMEN1
SCHEMBL17790727 0.88 MAPT (0.60) NPSR1TSHRHTTMAPTMEN1
SCHEMBL4028725 0.86 MAPT (0.49) NPSR1TSHRHTTMAPTMEN1
SCHEMBL9903838 0.86 NPSR1 (0.48) NPSR1TSHRHTTMAPTMEN1
SCHEMBL4032643 0.84 TSHR (0.51) NPSR1TSHRHTTMAPTGAA
SCHEMBL4034243 0.84 KMT2A (0.49) NPSR1TSHRHTTMAPTMEN1
SCHEMBL4032659 0.83 NPSR1 (0.52) NPSR1TSHRHTTMAPTMEN1
SCHEMBL5530438 0.83 MEN1 (0.54) NPSR1TSHRHTTMAPTMEN1
SCHEMBL4030815 0.81 KMT2A (0.54) NPSR1TSHRHTTMAPTMEN1

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