SCHEMBL14306732

SCHEMBL14306732

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ ALDH3A1 P30838 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL14280250 0.87 KMT2A (0.38) ALDH1A1TYRSMN1; SMN2MAPTKMT2A
SCHEMBL14280271 0.87 ALDH1A1 (0.44) ALDH1A1TYRMAPTKMT2ALMNA
SCHEMBL14306621 0.83 ALDH1A1 (0.36) ALDH1A1ERN1ALDH3A1SMN1; SMN2PKM
SCHEMBL14280256 0.83 VCAM1 (0.41) ALDH1A1TYRVCAM1PKMMAPT
SCHEMBL14305215 0.83 TYR (0.34) ALDH1A1TYRVCAM1MAPTKMT2A
SCHEMBL14280246 0.83 ALDH1A1 (0.42) ALDH1A1TYRSMN1; SMN2MAPTKMT2A
SCHEMBL14280245 0.72 MEN1 (0.45) ALDH1A1TYRSMN1; SMN2MAPTKMT2A
SCHEMBL14280247 0.71 KMT2A (0.45) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL14280268 0.70 KMT2A (0.44) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL14280242 0.70 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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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