SCHEMBL13580425

SCHEMBL13580425

CC(C)(C)C1=CC(=C/N=N/c2ccc([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])ccc2/N=N/C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.40
▸ S100A4 P26447 2/20 0.40
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CAPN9 O14815 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 2/20 0.35

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
SCHEMBL14280242 0.90 ALDH1A1 (0.40) PTPRCS100A4KMT2AMAPTMEN1
SCHEMBL22238634 0.82 MEN1 (0.38) KMT2AMAPTMEN1CASP3ALDH1A1
SCHEMBL13760889 0.82 MEN1 (0.38) KMT2AMAPTMEN1CASP3ALDH1A1
SCHEMBL13580428 0.81 NPC1 (0.36) PTPRCS100A4KMT2ANPC1ATM
SCHEMBL13580424 0.81 NPC1 (0.36) S100A4KMT2ANPC1ATMGPR35
SCHEMBL14280239 0.81 KMT2A (0.44) KMT2AMAPTMEN1ACHECASP3
SCHEMBL14280268 0.81 KMT2A (0.44) KMT2AMAPTKDM4EMEN1ACHE
SCHEMBL14280241 0.80 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL14306621 0.80 ALDH1A1 (0.36) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL14280240 0.79 SMN1; SMN2 (0.41) KMT2AMAPTMEN1ACHECES1

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-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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