SCHEMBL5201944

SCHEMBL5201944

Cc1cccc(-c2[nH]c(C3CCC(C(c4ccccc4)S(N)(=O)=O)CC3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.52
MAPK14 Q16539 3/20 0.52
ACVR1B P36896 3/20 0.52
RIPK2 O43353 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TGFBR2 P37173 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
RPS6KA1 Q15418 1/20 0.41

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
SCHEMBL4334259 0.83 TGFBR1 (0.63) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4341010 0.81 TGFBR1 (0.56) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4347697 0.81 TGFBR1 (0.61) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4347702 0.81 TGFBR1 (0.60) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4342600 0.80 TGFBR1 (0.64) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4338429 0.80 TGFBR1 (0.57) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4337901 0.80 TGFBR1 (0.54) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4339351 0.80 TGFBR1 (0.51) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4337490 0.79 TGFBR1 (0.56) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4332686 0.79 TGFBR1 (0.52) TGFBR1MAPK14ACVR1BRIPK2TDP1

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