SCHEMBL20364488

SCHEMBL20364488

Cc1ccc(Nc2ccc(Nc3ccc(N=C4C=CC(=N)C=C4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ G6PD P11413 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ENPP2 Q13822 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ APP P05067 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL14594146 0.91 HPGD (0.50) HPGDGAAKMT2AMEN1G6PD
SCHEMBL12761442 0.89 MAPT (0.38) HPGDL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL14700433 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD
SCHEMBL13665793 0.84 ALDH1A1 (0.48) HPGDGAAKMT2AMEN1L3MBTL1
SCHEMBL13665809 0.84 ALDH1A1 (0.48) HPGDGAAKMT2AMEN1L3MBTL1
SCHEMBL16229251 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD
SCHEMBL13707595 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD
SCHEMBL13899818 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD
SCHEMBL47774 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD
SCHEMBL471727 0.84 HPGD (0.44) HPGDGAAKMT2AMEN1G6PD

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
US-20180198124-A1 BATTERY WITH POLYVALENT METAL ANODE ZIMMERMAN MICHAEL A (US) 2018-07-12 — — US disclosed
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