SCHEMBL9795455

SCHEMBL9795455

Cc1nc(Oc2cccc(C(F)(F)F)c2)c(C(=O)Nc2ccc(F)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.56
▸ RAB9A P51151 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PIN1 Q13526 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ NPY5R Q15761 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9795446 0.87 NPSR1 (0.64) P2RY1RAB9AGAAMAPTL3MBTL1
SCHEMBL9795365 0.81 CYP1A2 (0.49) P2RY1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL9795501 0.78 MAPT (0.56) P2RY1MAPTKDM4ENPSR1MEN1
SCHEMBL8726312 0.77 NPY5R (0.53) P2RY1RAB9AGAAMAPTL3MBTL1
SCHEMBL10969684 0.76 KMT2A (0.76) P2RY1EGFRKDM4ENPSR1MEN1
SCHEMBL54805 0.76 MAPT (0.65) P2RY1RAB9AGAAMAPTL3MBTL1
SCHEMBL29497315 0.76 MAPT (0.65) P2RY1RAB9AGAAMAPTL3MBTL1
SCHEMBL29732862 0.76 MAPT (0.65) P2RY1RAB9AGAAMAPTL3MBTL1
SCHEMBL9795357 0.75 MRGPRX4 (0.50) RAB9AGAAMAPTL3MBTL1NPSR1
SCHEMBL8723508 0.73 GAA (0.58) P2RY1RAB9AGAAMAPTL3MBTL1

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
US-5057142-A Herbicidal thiazolecarboxamide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 — — US claimed
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