SCHEMBL8320980

SCHEMBL8320980

O=C(O)COc1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.58
POLB P06746 4/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.56
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
ITGA2 P17301 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8321319 0.84 ITGB3 (0.51) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL1663555 0.84 MAPT (0.55) MAPTPOLBLMNAGAAKMT2A
SCHEMBL8318988 0.83 MAPT (0.57) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL8325472 0.80 ITGB3 (0.47) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL8662466 0.80 MAPT (0.61) MAPTLMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9409454 0.79 MAPT (0.60) MAPTLMNAKMT2AMEN1ALDH1A1
Pyridine SCHEMBL8631988 0.76 SIRT2 (0.47) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL7387799 0.75 MAPT (0.48) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7387805 0.75 MAPT (0.48) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL24891825 0.74 RAB9A (0.64) MAPTLMNAKMT2AMEN1CYP2C19

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-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed