SCHEMBL19987541

SCHEMBL19987541

CCN/C(C#N)=C(/C)C(=N)c1ccc(OCc2ccccc2N(N)C(=O)NN)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FFAR4 Q5NUL3 2/20 0.30
FFAR1 O14842 1/20 0.30
BRD4 O60885 2/20 0.30
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
SCHEMBL19987543 0.81 MAOB (0.43) FFAR4FFAR1CD274
SCHEMBL19987563 0.76 MRGPRX4 (0.44) MRGPRX4FFAR4FFAR1
SCHEMBL19987586 0.70 MRGPRX4 (0.38) MRGPRX4FFAR4FFAR1
SCHEMBL18831377 0.70 MRGPRX4 (0.33) MRGPRX4
SCHEMBL19987565 0.70 ELANE (0.35)
SCHEMBL18831644 0.67 MRGPRX4 (0.33) MRGPRX4BRD4
SCHEMBL19987597 0.67 SMN1; SMN2 (0.43) MRGPRX4FFAR4FFAR1CD274
SCHEMBL18831378 0.67
SCHEMBL19987585 0.66 HPGD (0.35) MRGPRX4CD274
SCHEMBL19987547 0.66 HPGD (0.35) MRGPRX4PSEN1PSEN2APH1BNCSTN

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