SCHEMBL12464176

SCHEMBL12464176

CCC(C)(C)c1sc(NC(=O)C2CC2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AHR P35869 1/20 0.50
LMNA P02545 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
LCK P06239 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
SCHEMBL2753548 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL3138145 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL12460960 0.76 NPC1 (0.84) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL3580813 0.73 NPC1 (0.60) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL3590753 0.72 LMNA (0.64) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL10719011 0.67 NPC1 (0.60) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL4202353 0.67 RAB9A (0.68) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL14960416 0.66 KMT2A (0.59) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL3584201 0.66 RAB9A (0.71) RAB9ANPC1SMN1; SMN2AHRLMNA
SCHEMBL13015630 0.65 KMT2A (0.58) RAB9ANPC1SMN1; SMN2LMNAMEN1

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-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed