SCHEMBL5201598

SCHEMBL5201598

O=S(=O)(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.53
ACVR1B P36896 2/20 0.51
MAPT P10636 4/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
CSNK1E P49674 2/20 0.48
KDM4E B2RXH2 2/20 0.48
RIPK2 O43353 1/20 0.48
PRKD3 O94806 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
TGFBR2 P37173 1/20 0.48
RPS6KA1 Q15418 1/20 0.48
CSNK1A1L Q8N752 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4337163 0.97 TGFBR1 (0.53) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4332577 0.94 TGFBR1 (0.52) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4334390 0.94 TGFBR1 (0.52) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4339840 0.94 TGFBR1 (0.52) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL5188323 0.94 TGFBR1 (0.51) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4332579 0.92 TGFBR1 (0.50) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4352372 0.92 TGFBR1 (0.50) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL5186706 0.92 TGFBR1 (0.50) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4346644 0.91 TGFBR1 (0.51) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D
SCHEMBL4336662 0.90 TGFBR1 (0.51) TGFBR1ACVR1BMAPTCSNK1A1CSNK1D

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