SCHEMBL3259336

SCHEMBL3259336

N=CC(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 2/20 0.49
▸ GPR35 Q9HC97 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL14436536 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL16215901 0.84 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL3258908 0.84 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL3697952 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL506668 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL8521008 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL31014201 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL4632496 0.78 MAPT (0.54) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4632494 0.78 MAPT (0.54) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4632493 0.78 MAPT (0.54) CYP1A2ALDH1A1MAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278045-B2 Methods for the detection, analysis and isolation of nascent proteins AMBERGEN, INC. (US) 2012-10-02 — — US disclosed
US-7648535-B2 Agent for coloring keratin fibres WELLA AG (DE) 2010-01-19 — — US disclosed
US-20070000069-A1 Agent for colouring keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-01-04 — — US disclosed
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