SCHEMBL4034724

SCHEMBL4034724

Cc1onc(-c2ccccc2F)c1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.51
GPBAR1 Q8TDU6 2/20 0.49
PTGS1 P23219 1/20 0.47
SCN9A Q15858 5/20 0.46
SCN5A Q14524 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRA5 P31644 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NTRK1 P04629 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4029460 0.80 NPSR1 (0.61) PTGS1ALDH1A1MAPTGAAKMT2A
SCHEMBL30395326 0.79 GPBAR1 (0.60) EPAS1GPBAR1PTGS1ALDH1A1LMNA
SCHEMBL3826089 0.79 GPBAR1 (0.60) EPAS1GPBAR1PTGS1ALDH1A1LMNA
SCHEMBL27936741 0.78 GPBAR1 (0.62) EPAS1GPBAR1PTGS1ALDH1A1LMNA
SCHEMBL4031817 0.77 MAPT (0.47) EPAS1ALDH1A1MAPTGAAKMT2A
SCHEMBL2470614 0.77 GPBAR1 (0.60) EPAS1GPBAR1PTGS1ALDH1A1LMNA
SCHEMBL4028725 0.77 MAPT (0.49) GPBAR1ALDH1A1LMNAMAPTGAA
SCHEMBL4032662 0.77 LPAR1 (0.57) GPBAR1SCN9ASCN5AALDH1A1LMNA
SCHEMBL28807438 0.76 GABRA5 (0.51) EPAS1GPBAR1PTGS1ALDH1A1LMNA
SCHEMBL11408570 0.76 EPAS1 (0.61) EPAS1GPBAR1ALDH1A1LMNAMAPT

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