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SCHEMBL1670786

SCHEMBL1670786

CCn1cc(-c2ccc(O)cc2)c(-c2c(C)noc2C)c1C=NO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.39
▸ BRD4 O60885 14/20 0.39
▸ ERN1 O75460 2/20 0.36
▸ BRD2 P25440 1/20 0.35
▸ CREBBP Q92793 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL1670785 1.00 MLYCD (0.39) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670399 0.90 TLR8 (0.39) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670398 0.90 TLR8 (0.39) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL12801012 0.87 BRD4 (0.47) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL12800997 0.81 BRD4 (0.42) MLYCDBRD4ERN1BRD2HSP90AB1
SCHEMBL1672895 0.76 MLYCD (0.41) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1672893 0.76 MLYCD (0.41) MLYCDBRD4ERN1BRD2CREBBP
SCHEMBL1670714 0.74 TLR8 (0.41) MLYCDBRD4BRD2CREBBP
SCHEMBL1670718 0.74 TLR8 (0.41) MLYCDBRD4BRD2CREBBP
SCHEMBL1682611 0.74 BRD4 (0.38) MLYCDBRD4ERN1BRD2CREBBP

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