SCHEMBL14305215

SCHEMBL14305215

COC1=CC(=CN=Nc2ccc(N(O)O)cc2[N+](=O)[O-])C=C(OC)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.34
▸ ABCC1 P33527 1/20 0.32
▸ ACHE P22303 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ BCHE P06276 2/20 0.32
▸ VCAM1 P19320 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL14280271 0.84 ALDH1A1 (0.44) TYRALDH1A1KMT2AMEN1CYP1A2
SCHEMBL14280250 0.84 KMT2A (0.38) TYRALDH1A1KMT2AMEN1PTGS2
SCHEMBL14306732 0.83 ALDH1A1 (0.36) TYRALDH1A1KMT2AMEN1KDM4E
SCHEMBL14280256 0.80 VCAM1 (0.41) TYRALDH1A1KMT2AMEN1KDM4E
SCHEMBL14280246 0.80 ALDH1A1 (0.42) TYRABCC1ACHEALDH1A1KMT2A
SCHEMBL14306630 0.77 TYR (0.41) TYRALDH1A1KMT2AMEN1KDM4E
SCHEMBL14280245 0.70 MEN1 (0.45) TYRALDH1A1KMT2AMEN1PTGS2
SCHEMBL14280247 0.68 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL12680494 0.68 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL14280268 0.68 KMT2A (0.44) ACHEALDH1A1KMT2AMEN1CYP1A2

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-7314692-B2 Phenylazomethylene-cyclohexadienone derivatives comprising electron withdrawing group and electrophotographic photoreceptor comprising the derivatives SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-01 — — US disclosed
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