SCHEMBL7429161

SCHEMBL7429161

O=C(O)CN(C(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
USP2 O75604 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ITGA2 P17301 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7584355 0.90 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7477992 0.90 RAB9A (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7479875 0.85 ITGB3 (0.45) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7580016 0.85 USP2 (0.45) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL532678 0.83 MAPT (0.74) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7419341 0.83 KIT (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7473771 0.81 ITGB3 (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5084566 0.81 USP2 (0.66) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7476748 0.80 RORC (0.46) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7477926 0.80 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53

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