SCHEMBL8894553

SCHEMBL8894553

COc1cc(C)cc(OC)c1-c1csc(NC(=O)c2cc3ccccc3[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PLCG2 P16885 1/20 0.47
IMPDH2 P12268 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MMP14 P50281 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ADORA3 P0DMS8 2/20 0.45
SMO Q99835 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
F2 P00734 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Water SCHEMBL9411708 0.99 NPC1 (0.49) NPC1RAB9APLCG2IMPDH2LMNA
Hydrochloric Acid SCHEMBL8894458 0.98 NPC1 (0.48) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL7901407 0.92 NPC1 (0.55) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL7894112 0.92 NPC1 (0.52) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL7899852 0.89 NPC1 (0.47) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL8896967 0.89 NPC1 (0.47) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL8895413 0.89 NPC1 (0.47) NPC1RAB9APLCG2IMPDH2LMNA
SCHEMBL7901626 0.88 LMNA (0.58) NPC1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL7899704 0.88 LMNA (0.58) NPC1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL8893820 0.87 NPC1 (0.47) NPC1RAB9APLCG2IMPDH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1107158-A Polysubstituted 2-amino-thiazole derivatives SANOFI ELF (FR) 1995-08-23 CN claimed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP claimed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP disclosed