SCHEMBL6176937

SCHEMBL6176937

Cc1csc(C(C=O)c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALOX5 P09917 1/20 0.40
GCK P35557 1/20 0.40
FFAR1 O14842 1/20 0.40
IDH1 O75874 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7498912 0.83 LTA4H (0.40) FFAR1
SCHEMBL27557959 0.83 PTPN1 (0.43) GBA1NPC1RAB9AMEN1KMT2A
SCHEMBL7496494 0.80 MEN1 (0.41) ENPP3ENPP1NPC1MEN1KMT2A
SCHEMBL6177202 0.80 CTSA (0.49) ALOX5FFAR1LMNA
SCHEMBL8505924 0.78 LMNA (0.53) RAB9ASMN1; SMN2L3MBTL1ALOX5LMNA
SCHEMBL8505922 0.78 LMNA (0.53) RAB9ASMN1; SMN2L3MBTL1ALOX5LMNA
SCHEMBL2844054 0.78 LMNA (0.53) RAB9ASMN1; SMN2L3MBTL1ALOX5LMNA
SCHEMBL6179653 0.77 MAPK9 (0.48) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL27557957 0.76 GBA1 (0.48) GBA1NPC1RAB9AMEN1KMT2A
SCHEMBL1419820 0.76 MEN1 (0.53) NPC1RAB9AMEN1KMT2APOLB

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed