SCHEMBL1670810

SCHEMBL1670810

Cc1noc(C)c1-c1c(C(=N)NO)c(C)c(Cl)n1-c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.34
FTO Q9C0B1 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
BRD2 P25440 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL1672972 0.82 TSHR (0.41) BRD4FTOBRD2HSD17B10
SCHEMBL1667589 0.82 BRD4 (0.33) BRD4FTOESR1ESR2USP2
SCHEMBL1671034 0.81
SCHEMBL2307790 0.81 ERN1 (0.34) BRD4USP2CYP1A2ALOX15CYP2C19
SCHEMBL1077681 0.81 ESR1 (0.38) BRD4ESR1ESR2BRD2USP2
SCHEMBL1670809 0.80 BRD4 (0.34) BRD4FTOESR1ESR2BRD2
SCHEMBL1670805 0.80 BRD4 (0.34) BRD4FTOESR1ESR2BRD2
SCHEMBL2311175 0.80 BRD4 (0.34) BRD4FTOESR1ESR2USP2
SCHEMBL12800297 0.79 BRD4 (0.38) BRD4ESR1ESR2BRD2
SCHEMBL12988144 0.79 BRD4 (0.33) BRD4ESR1ESR2BRD2

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