SCHEMBL8887289

SCHEMBL8887289

C/N=c1/c(C#N)c(NC2CC3COCC(C2)N3Cc2ccc(F)cc2)n(C)c(=S)n1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
MAPT P10636 2/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
DRD3 P35462 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8327067 1.00 LTA4H (0.33) LTA4HMAPTOPRK1ALDH1A1MITF
SCHEMBL8326665 0.87 LTA4H (0.34) LTA4HMAPTOPRK1ALDH1A1MITF
SCHEMBL8325986 0.73 HRH1 (0.35) ALDH1A1HTTDRD3KDM4E
SCHEMBL8327922 0.70 BCHE (0.35) MAPTALDH1A1MITFHTTRAB9A
SCHEMBL8327173 0.68 PRKAA2 (0.42) ALDH1A1DRD3
SCHEMBL8326062 0.67 HTR3A (0.30)
SCHEMBL14439615 0.65 LTA4H (0.54) LTA4HMAPTOPRK1DRD3
SCHEMBL5595279 0.65 LTA4H (0.54) LTA4HMAPTOPRK1DRD3
SCHEMBL5595280 0.65 LTA4H (0.54) LTA4HMAPTOPRK1DRD3
SCHEMBL7491968 0.65 OPRK1 (0.44) LTA4HMAPTOPRK1DRD3

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-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed