SCHEMBL2573961

SCHEMBL2573961

Cc1cccc2cc(-c3ccc(F)c(F)c3F)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.42
▸ DDO Q99489 2/20 0.42
▸ NSD2 O96028 1/20 0.36
▸ HRH4 Q9H3N8 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPY5R Q15761 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 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
SCHEMBL14694268 0.81 GAA (0.47) DAODDONSD2ARNPY5R
SCHEMBL13186438 0.74 DAO (0.46) DAODDONSD2HRH4KDM4E
SCHEMBL694774 0.73 MGAM (0.45) DAODDONSD2NPY5RMGAM
SCHEMBL11488176 0.72 DAO (0.55) DAODDONSD2HRH4KDM4E
SCHEMBL16105092 0.72 DAO (0.50) DAODDONSD2HRH4KDM4E
SCHEMBL4884445 0.70 DHODH (0.55) DAODDONSD2KDM4EALDH1A1
SCHEMBL16382926 0.70 KDM4E (0.56) DAODDOKDM4EALDH1A1HPGD
SCHEMBL11657032 0.70 CYP1A1 (0.49) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL1132837 0.69 ACHE (0.41) —
SCHEMBL16382909 0.68 DAO (0.46) DAODDONSD2HRH4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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