SCHEMBL14280243

SCHEMBL14280243

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.41
▸ MAPT P10636 6/20 0.37
▸ RAD51 Q06609 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ KAT2B Q92831 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ 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
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GPR35 Q9HC97 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
SCHEMBL14280256 0.84 VCAM1 (0.41) VCAM1MAPTRAD51KMT2AKAT2B
SCHEMBL14280268 0.84 KMT2A (0.44) MAPTKMT2ARAB9AMAPK1TDP1
SCHEMBL14280242 0.84 ALDH1A1 (0.40) MAPTKMT2AMAPK1TDP1NPC1
SCHEMBL14306621 0.83 ALDH1A1 (0.36) MAPTKMT2AMAPK1TDP1NPC1
SCHEMBL14280240 0.80 SMN1; SMN2 (0.41) MAPTKMT2ARAB9ANPC1MEN1
SCHEMBL14280244 0.78 CYP19A1 (0.36) KMT2ANPC1ATMGPR35
SCHEMBL14306623 0.78 VCAM1 (0.41) VCAM1MAPTRAD51KMT2AKAT2B
SCHEMBL13580425 0.77 PTPRC (0.40) MAPTKMT2AMAPK1TDP1NPC1
SCHEMBL13580331 0.75 KMT2A (0.34) MAPTKMT2ARAB9AMAPK1NPC1
SCHEMBL18877782 0.72 BRD4 (0.34) KMT2ANPC1

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
Send feedback