SCHEMBL7473771

SCHEMBL7473771

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
HTR6 P50406 2/20 0.48
MAPT P10636 7/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 2/20 0.46
ITGA2 P17301 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 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
SCHEMBL7477926 0.87 MAPT (0.50) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7476748 0.87 RORC (0.46) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7478681 0.86 MAPT (0.44) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7484366 0.85 MAPKAPK2 (0.45) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7429161 0.81 MAPT (0.53) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL5084566 0.79 USP2 (0.66) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL532678 0.79 MAPT (0.74) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL24891825 0.77 RAB9A (0.64) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7479875 0.77 ITGB3 (0.45) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL7419341 0.75 KIT (0.49) 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