SCHEMBL5237019

SCHEMBL5237019

O=C(NO)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.73
THRB P10828 2/20 0.66
MAPK14 Q16539 2/20 0.66
TGFBR2 P37173 1/20 0.64

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
SCHEMBL5240228 0.92 TGFBR1 (0.73) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5231443 0.91 TGFBR1 (0.70) TGFBR1THRBMAPK14
SCHEMBL5238375 0.91 TGFBR1 (0.70) TGFBR1THRBMAPK14
SCHEMBL5238145 0.91 TGFBR1 (0.80) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5240477 0.90 TGFBR1 (0.69) TGFBR1THRBMAPK14
SCHEMBL5238302 0.90 TGFBR1 (0.69) TGFBR1THRBMAPK14
SCHEMBL5239442 0.90 TGFBR1 (0.69) TGFBR1THRBMAPK14
SCHEMBL5239564 0.90 TGFBR1 (0.73) TGFBR1THRBMAPK14
SCHEMBL5237653 0.90 TGFBR1 (0.79) TGFBR1THRBMAPK14TGFBR2
SCHEMBL5233502 0.90 TGFBR1 (0.69) TGFBR1THRBMAPK14

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP claimed