SCHEMBL1670622

SCHEMBL1670622

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(-c2ccc(F)c(F)c2)n(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
BRD4 O60885 11/20 0.37
AR P10275 2/20 0.36
MLYCD O95822 2/20 0.35
FFAR1 O14842 1/20 0.33
BRD2 P25440 1/20 0.33
USP30 Q70CQ3 2/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL12801014 0.84 ERN1 (0.41) ERN1BRD4MLYCDFFAR1BRD2
SCHEMBL1670817 0.79 MLYCD (0.40) ERN1BRD4ARMLYCDBRD2
SCHEMBL1672894 0.79 ERN1 (0.38) ERN1BRD4MLYCDFFAR1BRD2
SCHEMBL1672899 0.79 ERN1 (0.38) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL1672896 0.79 ERN1 (0.38) ERN1BRD4MLYCDFFAR1BRD2
SCHEMBL1670795 0.79 AR (0.44) ERN1BRD4ARMLYCDBRD2
SCHEMBL1670383 0.74 BRD4 (0.40) ERN1BRD4ARMLYCDBRD2
SCHEMBL1672131 0.73 BRD4 (0.37) ERN1BRD4ARMLYCDBRD2
SCHEMBL1682484 0.71 BRD4 (0.40) ERN1BRD4ARMLYCDBRD2
SCHEMBL1671315 0.69 BRD4 (0.42) BRD4ARMLYCDBRD2USP30

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