SCHEMBL9032005

SCHEMBL9032005

OC[C@H]1CCCN1c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
PDE10A Q9Y233 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SORD Q00796 1/20 0.45
DPP4 P27487 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
SCHEMBL5674922 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5674913 1.00 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23965741 0.83 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL9033137 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL9033129 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL9033462 0.79 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL9033466 0.79 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11985482 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1199326 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL20027984 0.76 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528734-B1 Thiazolidin-2,4-dione derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-10-23 EP disclosed
US-5330999-A Diabetes, obesity ADIR ET COMPAGNIE (FR) 1994-07-19 US disclosed
US-5296605-A 2,4-thiazolidinedione compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5266582-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
EP-0528734-A1 Thiazolidin-2,4-dione derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-24 EP disclosed