SCHEMBL13635627

SCHEMBL13635627

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC4CCCCC4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.61
GCK P35557 3/20 0.38
HTR3A P46098 2/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FBP1 P09467 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL9922645 0.96 P2RY12 (0.64) P2RY12GCKHTR3APSEN1PSEN2
SCHEMBL9922564 0.87 P2RY12 (0.69) P2RY12GAAKMT2AALDH1A1HTT
SCHEMBL9922508 0.87 P2RY12 (0.63) P2RY12HTR3APSEN1PSEN2APH1B
SCHEMBL9923147 0.87 P2RY12 (0.54) P2RY12GCKPSEN1PSEN2APH1B
SCHEMBL13635110 0.86 P2RY12 (0.66) P2RY12HTR3AGAAKMT2AHTT
SCHEMBL9922558 0.86 P2RY12 (0.66) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL9922861 0.86 P2RY12 (0.51) P2RY12GCKPSEN1PSEN2APH1B
SCHEMBL9922461 0.86 P2RY12 (0.64) P2RY12HTR3APSEN1PSEN2APH1B
SCHEMBL9922499 0.85 P2RY12 (0.70) P2RY12HTR3AGAAKMT2AHTT
SCHEMBL9922505 0.85 P2RY12 (0.58) P2RY12GCKPSEN1PSEN2APH1B

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-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed