SCHEMBL1671132

SCHEMBL1671132

C/C=C(/C)c1c(-c2ccc(O)cc2)c(Cl)n(C)c1/C(N)=N/O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
CHEK1 O14757 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
CSNK2A1 P68400 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 2/20 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
SCHEMBL1671141 1.00 KDM1A (0.33) KDM1ACHEK1NTRK1PIM1CDK2
SCHEMBL1671134 1.00 KDM1A (0.33) KDM1ACHEK1NTRK1PIM1CDK2
SCHEMBL1670815 0.83 KDM1A (0.31) KDM1A
SCHEMBL1669895 0.82
SCHEMBL1670933 0.80
SCHEMBL1670931 0.80
SCHEMBL1670937 0.80
SCHEMBL1671138 0.78 ESR1 (0.30) ESR1
SCHEMBL1672283 0.76 ESR1 (0.32) KDM1AESR1
SCHEMBL1672285 0.76 ESR1 (0.32) KDM1AESR1

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