SCHEMBL5201008

SCHEMBL5201008

Cc1cccc(-c2nc(C34CCC(NS(N)(=O)=O)(CC3)CC4)[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.61
MAPK14 Q16539 3/20 0.47
RIPK2 O43353 1/20 0.47
ACVR1B P36896 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF11 P52732 1/20 0.36
KIT P10721 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL4345074 0.93 TGFBR1 (0.71) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4351447 0.85 TGFBR1 (0.70) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL376161 0.83 TGFBR1 (0.86) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL30194941 0.83 TGFBR1 (0.86) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL18604427 0.82 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15678349 0.82 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL375627 0.82 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4347711 0.82 TGFBR1 (0.70) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL19442173 0.81 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4337372 0.81 TGFBR1 (0.69) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed