SCHEMBL10906550

SCHEMBL10906550

Nc1c(Cl)c(Cl)c(N)c2c1C=CC(=O)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL29250726 0.68 CES1 (0.44) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL30843875 0.68 CES1 (0.44) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL10618703 0.61 CYP1A1 (0.59) MEN1ALDH1A1MAPTTHRBBLM
SCHEMBL2254507 0.61 CYP1A1 (0.59) MEN1ALDH1A1MAPTTHRBBLM
SCHEMBL28356949 0.61 CES1 (0.32) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL9902097 0.58 ALDH1A1 (0.60) MEN1ALDH1A1MAPTTHRBBLM
SCHEMBL11357723 0.57 CYP1A1 (0.54) MEN1ALDH1A1MAPTTHRBBLM
SCHEMBL30288157 0.57 CES1 (0.50) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL31589796 0.55 CSNK2A2 (0.74) MEN1ALDH1A1MAPTTHRBBLM
SCHEMBL8627778 0.55 KDM4E (0.32) MEN1ALDH1A1MAPTTHRBKMT2A

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-4622169-A ANTHRAQUINONE OR NAPHTHAQUINONE SUBSTITUTED WITH AMINO GROUP REACTED WITH METAL SALT THE DOW CHEMICAL COMPANY (US) 1986-11-11 — — US disclosed
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