SCHEMBL13894569

SCHEMBL13894569

Bc1ccc(-c2sc(-c3ccc4c(c3)N(CC(CC)CCCC)C(=O)/C4=C3/C(=O)N(CC(CC)CCCC)c4cc(-c5cc(CC)c(-c6ccc(B)s6)s5)ccc43)cc2C)s1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL13894519 0.87 KDM4E (0.35) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13082639 0.86 KDM4E (0.34) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13894514 0.85 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13082174 0.82 KDM4E (0.35) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058842 0.82 KDM4E (0.36) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13082361 0.80 KDM4E (0.37) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058843 0.80 KDM4E (0.34) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18699182 0.79 — —
SCHEMBL13058841 0.78 KDM4E (0.37) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13058844 0.77 NR1H2 (0.30) KDM4EALDH1A1THRBHPGDKMT2A

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-2009053291-A1 KETOPYRROLES AS ORGANIC SEMICONDUCTORS BASF SE (CH) 2009-04-30 — — WO disclosed
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