SCHEMBL14818810

SCHEMBL14818810

C/N=C(/C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 4/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ GPR139 Q6DWJ6 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL496275 0.79 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL10561497 0.79 KAT6A (0.52) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL29459930 0.79 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL697586 0.78 MAOB (0.55) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL29742938 0.78 MAOB (0.55) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL690501 0.77 KAT6A (0.54) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL25070099 0.77 F10 (0.47) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL3935611 0.77 KAT6A (0.51) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL30668192 0.76 KAT6A (0.57) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL22954042 0.76 KAT6A (0.57) KAT6ATAS1R3TAS1R1TAS1R2GPR139

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-2346833-B1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES HOFFMANN LA ROCHE (CH) 2013-03-27 — — EP disclosed
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