SCHEMBL9536253

SCHEMBL9536253

Cc1csc(NC(C)N2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
USP2 O75604 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 6/20 0.42
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 2/20 0.36

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
Oxalic Acid SCHEMBL9536045 0.92 USP2 (0.57) FDPSUSP2KDM4EALOX15HSD17B10
SCHEMBL9715445 0.79 L3MBTL1 (0.49) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL9537775 0.77 NPC1 (0.52) ALOX15HSD17B10RAB9ALMNATDP1
SCHEMBL2777930 0.77 FDPS (0.58) FDPSRAB9ASMN1; SMN2NPC1GAA
SCHEMBL10473123 0.76 SMN1; SMN2 (0.57) KDM4EHSD17B10RAB9ALMNATDP1
SCHEMBL9539151 0.73 ALDH1A1 (0.48) FDPSUSP2KDM4ERAB9ALMNA
SCHEMBL13351522 0.71 FDPS (0.59) FDPSKDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL12128411 0.68 FDPS (0.51) FDPSRAB9ASMN1; SMN2NPC1GAA
SCHEMBL9536249 0.68 KDM4E (0.53) USP2KDM4EALOX15HSD17B10RAB9A
SCHEMBL30986000 0.68 USP2 (0.60) USP2KDM4EALOX15HSD17B10RAB9A

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed