SCHEMBL1670272

SCHEMBL1670272

Cc1cc(-c2ccc(O)cc2)n(-c2c(C)noc2C)c1/C(N)=N/O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
NTRK1 P04629 3/20 0.32
PIM1 P11309 3/20 0.32
KDM1A O60341 2/20 0.32
CHEK1 O14757 2/20 0.31
CDK2 P24941 2/20 0.31
CSNK2A1 P68400 2/20 0.31
TTR P02766 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 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
SCHEMBL1670273 1.00 BRD4 (0.33) BRD4NTRK1PIM1KDM1ACHEK1
SCHEMBL1671022 0.86 KDM1A (0.35) KDM1ATTRERN1
SCHEMBL1671019 0.86 KDM1A (0.35) KDM1ATTRERN1
SCHEMBL1670804 0.84 TTR (0.34) TTR
SCHEMBL1670802 0.84 TTR (0.34) TTR
SCHEMBL1670276 0.80 BRD4 (0.35) BRD4TTRERN1
SCHEMBL12986082 0.78 BRD4 (0.31) BRD4
SCHEMBL12988100 0.78 TTR (0.30) TTR
SCHEMBL12988102 0.78 TTR (0.30) TTR
SCHEMBL12986080 0.78 BRD4 (0.31) 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