SCHEMBL4032643

SCHEMBL4032643

Cc1onc(-c2cccc(F)c2)c1NC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
GABRA5 P31644 7/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NTRK1 P04629 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 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 0.84 NPSR1 (0.61) TSHRGAAMAPTHTTNTRK1
SCHEMBL4034243 0.84 KMT2A (0.49) TSHRGAAMAPTHTTNTRK1
SCHEMBL4029417 0.83 GPBAR1 (0.53) TSHRGPBAR1MAPTHTTNTRK1
SCHEMBL4028725 0.83 MAPT (0.49) TSHRGAAGPBAR1GABRA5MAPT
SCHEMBL4594713 0.81 GPBAR1 (0.62) TSHRGAAGPBAR1GABRA5HTT
SCHEMBL8350434 0.80 ALDH1A1 (0.50) TSHRGPBAR1NPSR1ALDH1A1
SCHEMBL27918170 0.79 GPBAR1 (0.63) TSHRGAAGPBAR1GABRA5MAPT
SCHEMBL4037473 0.78 MAPT (0.51) TSHRGAAMAPTKDM4EALDH1A1
SCHEMBL2471876 0.78 GPBAR1 (0.62) TSHRGAAGPBAR1GABRA5HTT
SCHEMBL4031784 0.78 LPAR1 (0.51) GPBAR1GABRA5MAPT

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