SCHEMBL2189162

SCHEMBL2189162

N=C(NC(=O)c1csc(C2COc3ccccc3O2)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP8 Q14790 5/20 0.56
FNTA P49354 5/20 0.54
PGGT1B P53609 5/20 0.54
CASP3 P42574 4/20 0.51
CASP7 P55210 1/20 0.50
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2187514 0.80 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14842332 0.76 CASP8 (0.74) CASP8FNTAPGGT1BCASP3CASP7
SCHEMBL2187668 0.74 KMT2A (0.48) NPC1RAB9ASMN1; SMN2KDM4ETDP1
SCHEMBL2186525 0.73 NFKB1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL3875594 0.73 CASP8 (1.00) CASP8FNTAPGGT1BCASP3CASP7
SCHEMBL2186570 0.73 NFKB1 (0.43) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL6610226 0.72 CASP8 (0.79) CASP8FNTAPGGT1BCASP3CASP7
SCHEMBL2186970 0.71 NPC1 (0.49) CASP3NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2187048 0.71 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL2186689 0.71 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EPKM

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