SCHEMBL5200255

SCHEMBL5200255

O=S(=O)(c1ccc(-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 0.53
HTR2B P41595 5/20 0.52
ALDH1A1 P00352 3/20 0.50
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CSNK1E P49674 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RIPK2 O43353 1/20 0.50
PRKD3 O94806 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
TGFBR2 P37173 1/20 0.50
RPS6KA1 Q15418 1/20 0.50
CSNK1A1L Q8N752 1/20 0.50

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
SCHEMBL4342046 0.94 ALDH1A1 (0.50) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4344108 0.94 TGFBR1 (0.49) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4335414 0.93 TGFBR1 (0.49) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4339656 0.93 TGFBR1 (0.64) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4346517 0.91 TGFBR1 (0.47) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4346489 0.91 TGFBR1 (0.63) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4337271 0.91 TGFBR1 (0.49) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4342054 0.91 TGFBR1 (0.55) TGFBR1ACVR1BHTR2BALDH1A1CSNK1A1
SCHEMBL4332686 0.90 TGFBR1 (0.52) TGFBR1ACVR1BHTR2BALDH1A1MAPT
SCHEMBL4345520 0.88 TGFBR1 (0.54) TGFBR1ACVR1BALDH1A1CSNK1A1CSNK1D

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 4 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
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed