SCHEMBL1672899

SCHEMBL1672899

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(-c2ccc(F)c(F)c2)n(C)c1C(=N)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
BRD4 O60885 10/20 0.37
MLYCD O95822 1/20 0.33
FTO Q9C0B1 1/20 0.33
HDAC6 Q9UBN7 3/20 0.32
FFAR1 O14842 1/20 0.32
HDAC4 P56524 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
BCL2L1 Q07817 1/20 0.32
BAK1 Q16611 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CREBBP Q92793 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
SCHEMBL1671315 0.83 BRD4 (0.42) BRD4MLYCDCREBBP
SCHEMBL1672894 0.83 ERN1 (0.38) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL1672896 0.83 ERN1 (0.38) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL12801014 0.82 ERN1 (0.41) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL1671529 0.82 BRD4 (0.36) ERN1BRD4MLYCDHDAC6CREBBP
SCHEMBL1670736 0.81 BRD4 (0.40) ERN1BRD4MLYCDHDAC6HDAC4
SCHEMBL1670622 0.79 ERN1 (0.39) ERN1BRD4MLYCDFFAR1CREBBP
SCHEMBL1670529 0.79 BRD4 (0.38) ERN1BRD4MLYCDHDAC6CREBBP
SCHEMBL1672905 0.77 BRD4 (0.37) ERN1BRD4MLYCDHDAC6CREBBP
SCHEMBL1672988 0.76 ERN1 (0.40) ERN1BRD4MLYCDHDAC6HDAC4

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