SCHEMBL7419341

SCHEMBL7419341

O=C(O)CN(C(=O)COCc1ccccc1)c1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
MAPT P10636 7/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL7429161 0.83 MAPT (0.53) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL7479875 0.79 ITGB3 (0.45) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL7476748 0.78 RORC (0.46) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL7584355 0.76 MAPT (0.54) MAPTKDM4ESIRT2SIRT1SIRT3
SCHEMBL7477992 0.76 RAB9A (0.55) MAPTKDM4EKMT2AMEN1NPC1
SCHEMBL8695279 0.76 KIT (0.47) KITMAPTKDM4EKMT2AMEN1
SCHEMBL7476755 0.76 MAPT (0.46) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL7473771 0.75 ITGB3 (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5084566 0.75 USP2 (0.66) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL532678 0.75 MAPT (0.74) MAPTKDM4EKMT2AMEN1L3MBTL1

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-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
WO-1997031910-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-09-04 WO disclosed