SCHEMBL1670628

SCHEMBL1670628

Cc1coc(C)c1-c1c(C(N)=O)c(C)c(Cl)n1-c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 3/20 0.34
MKNK2 Q9HBH9 1/20 0.32
TSHR P16473 1/20 0.32
EPHA3 P29320 1/20 0.30
WEE1 P30291 1/20 0.30
EPHB3 P54753 1/20 0.30
EPHB4 P54760 1/20 0.30
CREBBP Q92793 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
SCHEMBL1671031 0.86
SCHEMBL1671034 0.82
SCHEMBL1672972 0.81 TSHR (0.41) PKMYT1TSHRCREBBP
SCHEMBL1670036 0.68 PREP (0.31)
SCHEMBL1670809 0.68 BRD4 (0.34) TSHRCREBBP
SCHEMBL1670810 0.63 BRD4 (0.34)
SCHEMBL12800297 0.63 BRD4 (0.38) CREBBP
SCHEMBL6650651 0.62 POLB (0.50) MKNK2TSHR
SCHEMBL12989246 0.62 HSP90AA1 (0.39) TSHR
SCHEMBL30386550 0.61 ESR1 (0.39) TSHR

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