SCHEMBL13580331

SCHEMBL13580331

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ ERN1 O75460 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL13580359 0.84 PTGS2 (0.38) KMT2AMEN1BCHEACHECES1
SCHEMBL13580330 0.83 NPC1 (0.36) KMT2ANPC1GPR35ATM
SCHEMBL13580328 0.83 SENP2 (0.37) KMT2ANPC1GPR35ATM
SCHEMBL22238634 0.83 MEN1 (0.38) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL13760889 0.83 MEN1 (0.38) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL13580326 0.82 NPC1 (0.34) KMT2ANPC1GPR35ATMGAA
SCHEMBL13580317 0.82 NPC1 (0.36) KMT2ANPC1GPR35ATM
SCHEMBL13580307 0.82 NPC1 (0.36) KMT2ANPC1GPR35ATM
SCHEMBL13580322 0.82 NPC1 (0.36) KMT2ANPC1GPR35ATM
SCHEMBL14280239 0.81 KMT2A (0.44) KMT2ANPC1MEN1RAB9AACHE

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
US-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
US-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
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