SCHEMBL8201834

SCHEMBL8201834

CCOC.Nc1nc(N)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP1 P29466 1/20 0.39
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33

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
Dimethoxymethane SCHEMBL1228127 0.81 CASP1 (0.39) LMNASMN1; SMN2CASP1CCNA2CDK2
Ether SCHEMBL917077 0.81 LMNA (0.41) LMNASMN1; SMN2CASP1HSP90AA1ALDH1A1
Methoxymethane SCHEMBL108410 0.79 LMNA (0.43) LMNASMN1; SMN2CASP1CCNA2CDK2
SCHEMBL736034 0.79 LMNA (0.40) LMNASMN1; SMN2CASP1CCNA2CDK2
SCHEMBL10908182 0.79 LMNA (0.40) LMNASMN1; SMN2CASP1CCNA2CDK2
SCHEMBL28959694 0.77 LMNA (0.38) LMNASMN1; SMN2CASP1HSP90AA1ALDH1A1
SCHEMBL8214121 0.76 TLR8 (0.42) LMNASMN1; SMN2CASP1CCNA2CDK2
Ethylamine SCHEMBL23925800 0.76 CASP1 (0.45) LMNASMN1; SMN2CASP1CDK2CDK1
Butane SCHEMBL23581974 0.76 CASP1 (0.45) LMNASMN1; SMN2CASP1HSP90AA1HSD17B10
Ether SCHEMBL9622039 0.75 LMNA (0.37) LMNASMN1; SMN2CASP1HSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048610-A MALEIC ANHYDRIDE FUNCTIONALIZED CHLORINATED POLYOLEFIN, A MALEIC ANHYDRIDE FUNCTIONALIZED BLOCK POLYSTYRENE COPOLYMER, AND A CROSSLINKING AGENT. INTERTAPE POLYMER GROUP, INC. (US) 2000-04-11 US disclosed
US-4199646-A Heat-activatable, pressure-sensitive adhesive tape or sheet NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-04-22 US disclosed