SCHEMBL16716582

SCHEMBL16716582

COCNC(=O)N(C(=O)NCc1ccccc1)c1cnn(CC2=C(C)N=C2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 4/20 0.37
▸ KLKB1 P03952 7/20 0.37
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL16716546 0.73 TAS2R8 (0.68) TAS2R8KMT2AMEN1
SCHEMBL16716496 0.70 TAS2R8 (0.64) TAS2R8
SCHEMBL16716536 0.68 CA12 (0.35) KLKB1HPGDKMT2ACA12CA1
SCHEMBL16716547 0.64 TAS2R8 (0.66) TAS2R8
SCHEMBL7747829 0.61 MTNR1A (0.36) HPGDKMT2AMEN1HDAC1HDAC6
SCHEMBL2854366 0.60 KLKB1 (0.80) KLKB1
SCHEMBL2860106 0.60 KLKB1 (0.52) KLKB1NPC1RAB9AL3MBTL1
SCHEMBL16716540 0.59 TAS2R8 (0.64) TAS2R8
SCHEMBL3362410 0.59 HPGD (0.51) HPGDKMT2ACA12CA1CA2
SCHEMBL27675547 0.59 TP53 (0.49) HPGDKMT2AMEN1HDAC1HDAC6

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-2487169-B1 Compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX INC (US) 2015-05-20 — — EP disclosed
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