SCHEMBL5048907

SCHEMBL5048907

O=S(=O)(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CN(O)Cc2cccc(Cl)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.44
PGR P06401 2/20 0.43
NR3C1 P04150 1/20 0.42
AKR1C3 P42330 3/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
ADRB3 P13945 2/20 0.38

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
SCHEMBL1854510 0.89 LPAR1 (0.45) GUSBPGRNR3C1AKR1C3LPAR1
SCHEMBL5047516 0.79 SMN1; SMN2 (0.54) AKR1C3EPHX2
SCHEMBL1855180 0.76 MAPK14 (0.43) GUSBPGRNR3C1AKR1C3LTA4H
SCHEMBL4020754 0.76 MAPK14 (0.42) GUSBPGRNR3C1AKR1C3LTA4H
SCHEMBL4715421 0.72 ALDH1A1 (0.46) GUSBAKR1C3LTA4HEPHX2
SCHEMBL4715423 0.72 ALDH1A1 (0.50) GUSBAKR1C3EPHX2
SCHEMBL5048888 0.72 SMN1; SMN2 (0.53) EPHX2
SCHEMBL1857604 0.71 CASR (0.40) AKR1C3
SCHEMBL4713555 0.70 MAPK14 (0.41) GUSBPGRNR3C1AKR1C3LTA4H
SCHEMBL1852104 0.69 KMT2A (0.50) AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed