SCHEMBL8053528

SCHEMBL8053528

CNc1cc(C(=O)OC)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
ALPL P05186 3/20 0.37
CSNK2A2 P19784 1/20 0.37
KDR P35968 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19358351 0.84 MAPK1 (0.61) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL13369577 0.83 NPSR1 (0.52) MAPK1POLBKMT2AL3MBTL1MAPT
SCHEMBL23013382 0.79 MAPK1 (0.65) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL18236174 0.79 ALPL (0.41) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL14019194 0.78 MAPK1 (0.54) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL5355569 0.78 MAPK1 (0.62) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL3624738 0.77 MAPK1 (0.67) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL68056 0.77 MAPK1 (1.00) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL163583 0.77 MAPK1 (0.67) MAPK1POLBRAB9ANPC1MEN1
SCHEMBL4490261 0.77 MAPK1 (0.67) MAPK1POLBRAB9ANPC1MEN1

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-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed