SCHEMBL1670276

SCHEMBL1670276

Cc1cc(-c2ccc(O)cc2)n(-c2c(C)noc2C)c1C(=N)NO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TTR P02766 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL1671024 0.86 TTR (0.34) TTRERN1
SCHEMBL1670808 0.84 TTR (0.34) TTR
SCHEMBL1670272 0.80 BRD4 (0.33) BRD4TTRERN1
SCHEMBL1670273 0.80 BRD4 (0.33) BRD4TTRERN1
SCHEMBL1670328 0.80 BRD4 (0.33) BRD4
SCHEMBL12986674 0.79 BRD4 (0.32) BRD4TTR
SCHEMBL12986085 0.79 BRD4 (0.34) BRD4
SCHEMBL1670943 0.79 BRD4 (0.35) BRD4
SCHEMBL1672755 0.77
SCHEMBL1670669 0.77 BRD4 (0.32) BRD4

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed