SCHEMBL19987600

SCHEMBL19987600

NNC(=O)N(N)c1ccccc1COc1ccc(O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.44
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
CLCN2 P51788 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CD274 Q9NZQ7 2/20 0.36

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
SCHEMBL19987565 0.86 ELANE (0.35) GAAALDH1A1HDAC8MAPTTHRB
SCHEMBL18831493 0.81 MRGPRX4 (0.38) MRGPRX4HDAC6ALDH1A1HDAC8MAPT
SCHEMBL19987563 0.79 MRGPRX4 (0.44) MRGPRX4TP53ALDH1A1MAPTNPC1
SCHEMBL19987543 0.76 MAOB (0.43) GAAALDH1A1MAPTSMN1; SMN2FFAR4
SCHEMBL19987564 0.76 MRGPRX4 (0.35) MRGPRX4ALDH1A1MAPTSMN1; SMN2FFAR4
SCHEMBL19987586 0.76 MRGPRX4 (0.38) MRGPRX4TP53GAAALDH1A1MAPT
SCHEMBL23506115 0.73 HDAC8 (0.35) MRGPRX4HTTGAAALDH1A1HDAC8
SCHEMBL16273696 0.73 MRGPRX4 (0.49) MRGPRX4TP53HTTGAAMAPT
SCHEMBL16273719 0.72 MRGPRX4 (0.80) MRGPRX4TP53HTTALDH1A1CLCN2
SCHEMBL21317985 0.72 FFAR1 (0.34) GAAALDH1A1MAPTTHRBRAB9A

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-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed