SCHEMBL9435595

SCHEMBL9435595

CCN(CC)c1ccc(-c2nc3n(c2-c2ccc(N(CC)CC)cc2)CCS3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TGFBR1 P36897 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL11375463 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL9436217 0.83 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL11371770 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11KDM4E
Water SCHEMBL11374915 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11KDM4E
Ethylamine SCHEMBL11381979 0.80 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL9435577 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL9435904 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
Bromide SCHEMBL11373319 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL11377348 0.79 ALDH1A1 (0.65) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL11371528 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed