SCHEMBL19987554

SCHEMBL19987554

CCc1ccc(OCc2ccccc2N=C=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CD274 Q9NZQ7 11/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL17616645 0.85 MRGPRX4 (0.45) MRGPRX4FFAR4FFAR1NPC1MAPT
SCHEMBL16273633 0.84 MRGPRX4 (0.46) MRGPRX4FFAR4FFAR1NPC1MAPT
SCHEMBL17616649 0.81 FFAR1 (0.39) MRGPRX4GABRA1GABRB2FFAR4CD274
SCHEMBL17616620 0.80 MRGPRX4 (0.40) MRGPRX4GABRA1GABRB2FFAR4FFAR1
SCHEMBL17616598 0.79 FFAR4 (0.41) MRGPRX4GABRA1GABRB2FFAR4FFAR1
SCHEMBL16273629 0.79 GABRA1 (0.40) GABRA1GABRB2MAPT
SCHEMBL17616646 0.79 L3MBTL1 (0.45) GABRA1GABRB2FFAR4FFAR1MAPT
SCHEMBL17677487 0.78 MRGPRX4 (0.45) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16273628 0.77 MRGPRX4 (0.40) MRGPRX4FFAR4FFAR1NPC1MAPT
SCHEMBL19736986 0.77 RAB9A (0.57) MRGPRX4FFAR4CD274NPC1MAPT

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