SCHEMBL3633704

SCHEMBL3633704

COC(=O)Oc1ccc2oc(=O)n(Cc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 5/20 0.50
▸ CD74 P04233 3/20 0.50
▸ IDO1 P14902 3/20 0.47
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KMO O15229 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2546874 0.84 MAPT (0.49) MIFCD74IDO1LMNATSHR
SCHEMBL3627242 0.82 MIF (0.53) MIFCD74IDO1LMNATSHR
SCHEMBL3665095 0.79 MIF (0.51) MIFCD74IDO1LMNATSHR
SCHEMBL3629990 0.78 IDO1 (0.52) MIFCD74IDO1MEN1KMT2A
SCHEMBL2545840 0.73 MIF (0.71) MIFCD74IDO1LMNATSHR
SCHEMBL3633761 0.72 MIF (0.52) MIFCD74IDO1MEN1KMT2A
SCHEMBL3629237 0.71 TNIK (0.52) MIFCD74MEN1KMT2APOLB
SCHEMBL3632213 0.69 MET (0.50) MIFCD74MEN1KMT2APOLB
SCHEMBL244817 0.68 MIF (0.84) MIFCD74IDO1LMNATSHR
SCHEMBL3663233 0.67 MIF (0.48) MIFCD74IDO1LMNATSHR

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
EP-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 — — EP disclosed
EP-2150551-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2010-02-10 — — EP disclosed
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 — — WO disclosed
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