SCHEMBL14280256

SCHEMBL14280256

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.41
▸ ESRRA P11474 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TYR P14679 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 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
SCHEMBL14280243 0.84 VCAM1 (0.41) VCAM1ESRRAMAPTKMT2AKAT2B
SCHEMBL14280271 0.84 ALDH1A1 (0.44) MAPTKMT2ATYRRAB9AMEN1
SCHEMBL14280250 0.84 KMT2A (0.38) MAPTKMT2ATYRMEN1MAPK1
SCHEMBL14306732 0.83 ALDH1A1 (0.36) VCAM1MAPTKMT2ATYRRAB9A
SCHEMBL14305215 0.80 TYR (0.34) VCAM1MAPTKMT2ATYRMEN1
SCHEMBL14280246 0.80 ALDH1A1 (0.42) MAPTKMT2ATYRRAB9AMEN1
SCHEMBL14280251 0.77 TYR (0.41) MAPTKMT2ATYRMEN1MAPK1
SCHEMBL14280247 0.71 KMT2A (0.45) MAPTKMT2ARAB9AMEN1MAPK1
SCHEMBL14280245 0.70 MEN1 (0.45) MAPTKMT2ATYRRAB9AMEN1
SCHEMBL14253721 0.68 MPI (0.40) MAPTKMT2ATYRMEN1MAPK1

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-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
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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