SCHEMBL1672986

SCHEMBL1672986

C=Cc1c(-c2ccc(O)c(F)c2)c(-c2c(C)noc2C)c(C(N)=NO)n1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
KDM1A O60341 2/20 0.35
BRD4 O60885 12/20 0.34
BRD2 P25440 5/20 0.34
BRD3 Q15059 3/20 0.34
CREBBP Q92793 3/20 0.34
MLYCD O95822 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL1672985 1.00 ERN1 (0.40) ERN1KDM1ABRD4BRD2BRD3
SCHEMBL1670528 0.86 BRD4 (0.36) ERN1BRD4BRD2CREBBPMLYCD
SCHEMBL1670526 0.86 BRD4 (0.36) ERN1BRD4BRD2CREBBPMLYCD
SCHEMBL1672988 0.83 ERN1 (0.40) ERN1BRD4BRD2BRD3CREBBP
SCHEMBL11898800 0.80 ERN1 (0.38) ERN1KDM1ABRD4BRD2BRD3
SCHEMBL1672787 0.80 ERN1 (0.38) ERN1KDM1ABRD4BRD2BRD3
SCHEMBL1672789 0.80 ERN1 (0.38) ERN1KDM1ABRD4BRD2BRD3
SCHEMBL1682416 0.80 ERN1 (0.38) ERN1KDM1ABRD4BRD2BRD3
SCHEMBL1672896 0.76 ERN1 (0.38) ERN1BRD4BRD2CREBBPMLYCD
SCHEMBL1672894 0.76 ERN1 (0.38) ERN1BRD4BRD2CREBBPMLYCD

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