SCHEMBL12801014

SCHEMBL12801014

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(-c2ccc(F)c(F)c2)n(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
BRD4 O60885 14/20 0.39
USP7 Q93009 1/20 0.39
MLYCD O95822 1/20 0.37
BRD2 P25440 2/20 0.36
BRD3 Q15059 1/20 0.36
JAK2 O60674 1/20 0.35
FFAR1 O14842 1/20 0.35
CREBBP Q92793 1/20 0.34

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
SCHEMBL1670622 0.84 ERN1 (0.39) ERN1BRD4MLYCDBRD2FFAR1
SCHEMBL1672894 0.84 ERN1 (0.38) ERN1BRD4USP7MLYCDBRD2
SCHEMBL1672896 0.84 ERN1 (0.38) ERN1BRD4USP7MLYCDBRD2
SCHEMBL1672899 0.82 ERN1 (0.38) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL12800382 0.78 MLYCD (0.42) ERN1BRD4MLYCDBRD2BRD3
SCHEMBL12801015 0.77 MLYCD (0.45) ERN1BRD4USP7MLYCDBRD2
SCHEMBL12801001 0.74 BRD4 (0.39) ERN1BRD4MLYCDBRD2BRD3
SCHEMBL12800390 0.72 BRD4 (0.43) ERN1BRD4USP7MLYCDBRD2
SCHEMBL12362813 0.71 BRD4 (0.66) ERN1BRD4MLYCDBRD2CREBBP
SCHEMBL12808114 0.70 BRD4 (0.45) ERN1BRD4MLYCDBRD2BRD3

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 disclosed