SCHEMBL9033462

SCHEMBL9033462

[CH2]C1CCCN1c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.49
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 2/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL9033466 0.82 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL9032005 0.79 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5674913 0.79 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5674922 0.79 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1199326 0.78 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL11985482 0.78 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20027984 0.77 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL22896950 0.77 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL11985494 0.77 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL23965741 0.76 RAB9A (0.46) RAB9ANPC1SMN1; 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 3 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 claimed
US-5266582-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US claimed
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 claimed