SCHEMBL11377331

SCHEMBL11377331

COC(=O)c1cnc(C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.52
OPRK1 P41145 1/20 0.52
VCAM1 P19320 1/20 0.51
KDM4E B2RXH2 1/20 0.50
JAK2 O60674 1/20 0.44
TPMT P51580 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
PSMD14 O00487 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL11377339 0.91 MAPT (0.50) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL30511375 0.90 MAPK1 (0.53) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL25198617 0.90 MAPK1 (0.53) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL31440674 0.86 MAPT (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL18038271 0.86 MAPK1 (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL72992 0.86 MAPT (0.57) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL5248286 0.84 MAPK1 (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL72187 0.84 MAPT (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL13285512 0.84 MAPK1 (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1
SCHEMBL18227400 0.84 MAPK1 (0.56) MAPK1MAPTPOLBL3MBTL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260620-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-07 US disclosed
US-4202901-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed
US-4197302-A HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES CIBA-GEIGY CORPORATION (US) 1980-04-08 US disclosed