SCHEMBL7296294

SCHEMBL7296294

CCON=Cc1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)OCC)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.48
TNF P01375 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NOD2 Q9HC29 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
PLAU P00749 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7296292 1.00 NOD1 (0.48) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7365281 0.95 ALDH1A1 (0.48) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7365278 0.95 ALDH1A1 (0.48) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7357742 0.89 ITGB3 (0.45) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7357739 0.89 ITGB3 (0.45) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7435481 0.87 NOD1 (0.47) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7397694 0.87 NOD1 (0.46) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7397692 0.87 NOD1 (0.46) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7435483 0.87 NOD1 (0.47) NOD1TNFNPC1RAB9ANOD2
SCHEMBL7397379 0.86 NOD1 (0.45) NOD1TNFNPC1RAB9ANOD2

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-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed