SCHEMBL14306623

SCHEMBL14306623

CC1(N=Nc2ccc(C#N)cc2[N+](=O)[O-])C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.41
▸ MAPT P10636 7/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KAT2B Q92831 1/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 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
▸ ESRRA P11474 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL14306627 0.80 ALDH1A1 (0.35) MAPTKMT2AMAPK1KDM4EALDH1A1
SCHEMBL14306628 0.80 PTPN11 (0.39) MAPTKMT2ARAB9AALDH1A1GRIN2D
SCHEMBL14280243 0.78 VCAM1 (0.41) VCAM1MAPTKMT2AKAT2BRAD51
SCHEMBL14306624 0.77 CYP1B1 (0.36) —
SCHEMBL14306625 0.73 KMT2A (0.45) MAPTKMT2ARAB9AMAPK1ALDH1A1
SCHEMBL14306629 0.72 MEN1 (0.36) KMT2AMEN1
SCHEMBL8119880 0.68 VCAM1 (0.58) VCAM1MAPTKMT2AKAT2BRAB9A
SCHEMBL14315019 0.68 POLB (0.43) —
SCHEMBL14263532 0.67 PMM2 (0.41) MAPTKMT2ARAB9AMAPK1KDM4E
SCHEMBL14280256 0.67 VCAM1 (0.41) VCAM1MAPTKMT2AKAT2BRAD51

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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