SCHEMBL4584574

SCHEMBL4584574

O=C1c2c(ccc3ccnnc23)-c2ccc3ccnnc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MMP13 P45452 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
SCHEMBL18099777 0.67 CCR1 (0.70) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL31253020 0.67 CCR1 (0.70) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL3074924 0.66 TSHR (0.42) KDM4EGMNNLMNATP53HSP90AA1
Benzoquinone SCHEMBL28784465 0.63 PAX8 (0.37) KDM4ELMNATP53CYP3A4CYP2D6
SCHEMBL474149 0.63 ALDH1A1 (0.46) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL22045622 0.63 CLK1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL277448 0.63 KDM4E (0.34) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL22045599 0.63 PKM (0.46) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL18099779 0.63 CLK1 (0.56) KDM4EHTT
SCHEMBL17511986 0.61 LMNA (0.31) LMNA

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-2008022633-A2 SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE WERNER JOHANNES (DE) 2008-02-28 — — WO disclosed
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