SCHEMBL7476748

SCHEMBL7476748

O=C(O)CN(c1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7473771 0.87 ITGB3 (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7477926 0.85 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7484366 0.83 MAPKAPK2 (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7478681 0.81 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7429161 0.80 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7419341 0.78 KIT (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5084566 0.77 USP2 (0.66) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL532678 0.77 MAPT (0.74) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24891825 0.76 RAB9A (0.64) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7479875 0.75 ITGB3 (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1

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