SCHEMBL8488803

SCHEMBL8488803

CCC(n1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccncc1)S(C)(=O)=O.CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.42
MAPK13 O15264 9/20 0.42
MAPK12 P53778 9/20 0.42
MAPK11 Q15759 9/20 0.42
ALOX5 P09917 1/20 0.41
GCGR P47871 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK1D P48730 1/20 0.36

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
SCHEMBL8524296 0.84 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4566366 0.84 ADORA2A (0.46) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL8490495 0.83 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ALOX5
Morpholine SCHEMBL7382870 0.81 ALOX5 (0.40) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7360193 0.70 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4553711 0.70 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5082085 0.68 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL4915403 0.68 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CSNK1D
Morpholine SCHEMBL4553714 0.67 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7232352 0.67 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11ALOX5

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
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed