SCHEMBL5356977

SCHEMBL5356977

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccccc2OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LTB4R Q15722 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5306657 0.91 LTB4R (0.50) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5307245 0.89 KDM4E (0.52) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5306769 0.80 HCAR2 (0.54) KDM4EHPGDSMN1; SMN2HCAR2LTB4R
SCHEMBL5306138 0.80 KDM4E (0.49) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5061223 0.79 KDM4E (0.62) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5370021 0.79 KDM4E (0.47) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5297607 0.78 HCAR2 (0.62) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5306189 0.78 HCAR2 (0.53) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5300831 0.78 HCAR2 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL5302379 0.77 KDM4E (0.54) ALDH1A1KDM4EMAPK8MAPK9MAPK10

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
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed