SCHEMBL7421005

SCHEMBL7421005

CCOC(=O)CN(C(C)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
LMNA P02545 5/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
AR P10275 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8715790 0.84 MAPT (0.47) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7417406 0.83 ALDH1A1 (0.70) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4036462 0.82 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL7845711 0.82 MAPT (0.50) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7422213 0.81 ALDH1A1 (0.54) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7416266 0.81 ALDH1A1 (0.54) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3148140 0.81 ALDH1A1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL3662801 0.81 CA12 (0.47) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2104354 0.81 ALDH1A1 (0.66) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL8717644 0.80 ALDH1A1 (0.50) MAPTLMNAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885205-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-0885205-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-23 EP disclosed
US-5780480-A THROMBOLYTIC AGENTS, ANTICOAGULANTS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed