SCHEMBL2647997

SCHEMBL2647997

CCC/C=C/c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PPARG P37231 2/20 0.40
MAPT P10636 2/20 0.39
NMT1 P30419 2/20 0.39
SLC10A2 Q12908 1/20 0.39
DHODH Q02127 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2648000 1.00 MEN1 (0.43) MEN1HSP90AA1KMT2AJAK2JAK3
SCHEMBL2647297 0.91 LMNA (0.44) MEN1HSP90AA1KMT2APPARGMAPT
SCHEMBL2649451 0.91 LMNA (0.44) MEN1HSP90AA1KMT2APPARGMAPT
SCHEMBL2649909 0.85 SLC10A2 (0.44) MEN1KMT2AJAK2JAK3MAPT
SCHEMBL2648214 0.85 MAPT (0.48) MEN1KMT2AMAPTSLC10A2KDM4E
SCHEMBL2648215 0.85 MAPT (0.48) MEN1KMT2AMAPTSLC10A2KDM4E
SCHEMBL2648269 0.84 GCGR (0.49) DHODHKDM4EALDH1A1PKMERN1
SCHEMBL2648266 0.84 GCGR (0.49) DHODHKDM4EALDH1A1PKMERN1
SCHEMBL2647426 0.83 SLC10A2 (0.42) MEN1KMT2AJAK2JAK3MAPT
SCHEMBL2647427 0.83 SLC10A2 (0.42) MEN1KMT2AJAK2JAK3MAPT

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
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed