SCHEMBL18831709

SCHEMBL18831709

CCc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(C)c2Cl)cc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.31
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL18831303 0.91 CD274 (0.33) MRGPRX4CD274
SCHEMBL18831314 0.81 NR1H4 (0.32) NR1H4MRGPRX4
SCHEMBL18831417 0.81 MRGPRX4 (0.34) NR1H4MRGPRX4CD274
SCHEMBL18831365 0.80 SRC (0.32) NR1H4
SCHEMBL16911299 0.80 NR1H4 (0.32) NR1H4MRGPRX4
SCHEMBL18831328 0.79 KDM4E (0.33) NR1H4MRGPRX4
SCHEMBL18831258 0.79 CYP1A2 (0.32) MRGPRX4
SCHEMBL18831300 0.79 MAPT (0.30) MRGPRX4
SCHEMBL18831194 0.77 EPHA2 (0.34) NR1H4
SCHEMBL20686765 0.77 MRGPRX4 (0.43) MRGPRX4CD274

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-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed