SCHEMBL5728136

SCHEMBL5728136

COC(=O)Oc1ccsc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM6 O15303 1/20 0.39
GRM5 P41594 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
PTGS2 P35354 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL27768109 0.80 BCAT2 (0.45) KDM4EHPGDHSD17B10KMT2ATP53
SCHEMBL27849214 0.79 ELANE (0.45) KDM4EHPGDHSD17B10KMT2ATP53
SCHEMBL27767996 0.79 MAPK1 (0.40) KDM4EHPGDKMT2ATP53ALOX15
SCHEMBL8778284 0.77 KEAP1 (0.42) HPGDKMT2ATP53ALOX15MAPK1
SCHEMBL3321379 0.75 KDM4E (0.56) KDM4EHPGDHSD17B10KMT2ATP53
SCHEMBL765304 0.74 KDM4E (0.44) KDM4EHPGDHSD17B10KMT2AALDH1A1
SCHEMBL1834873 0.73 KDM4E (0.61) KDM4EHPGDHSD17B10KMT2AALOX15
SCHEMBL5728055 0.73 KDM4E (0.43) KDM4EHPGDHSD17B10KMT2AMAPK1
SCHEMBL11925422 0.72 KDM4E (0.70) KDM4EHPGDHSD17B10KMT2AALDH1A1
SCHEMBL2186248 0.72 KDM4E (0.44) KDM4EHPGDHSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694665-A2 SUBSTITUTED THIOPHENES AiCuris GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2005063734-A2 SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2005-07-14 WO disclosed