SCHEMBL2187574

SCHEMBL2187574

N=C(NC(=O)c1csc(N2CCN(Cc3ccccc3)CC2)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
BCHE P06276 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.40
TNK1 Q13470 1/20 0.40

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
SCHEMBL2187668 0.85 KMT2A (0.48) GAATDP1L3MBTL1MAPK1NPC1
SCHEMBL2187578 0.82 TDP1 (0.46) GAAMAPTGFERTDP1L3MBTL1
SCHEMBL2187370 0.77 SCD (0.48) GAANPC1RAB9APKMMEN1
SCHEMBL8442374 0.74 NPC1 (0.52) MAPTALDH1A1HSD17B10NPC1RAB9A
Bromide SCHEMBL6705318 0.73 NPC1 (0.51) MAPTALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2187514 0.71 SMN1; SMN2 (0.46) TDP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6705418 0.71 ALDH1A1 (0.55) MAPTALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2186525 0.70 NFKB1 (0.45) TDP1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2187048 0.70 NPC1 (0.63) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2186689 0.70 NPC1 (0.52) MAPTHSD17B10NPC1RAB9ASMN1; SMN2

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed