SCHEMBL28296715

SCHEMBL28296715

Nc1cc([N+](=O)[O-])ccc1-c1ccc(O)cc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ TDP1 Q9NUW8 7/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ ELANE P08246 1/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ NPBWR1 P48145 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ DYRK1A Q13627 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL28104599 0.98 GAA (0.59) GAATHRBTDP1MEN1MAPT
SCHEMBL5852345 0.88 CYP3A4 (0.56) GAATHRBTDP1MEN1MAPT
SCHEMBL27911370 0.82 CYP3A4 (0.59) GAATHRBTDP1MEN1MAPT
SCHEMBL28244181 0.82 ALDH1A1 (0.56) TDP1MEN1MAPTKMT2AELANE
SCHEMBL3120559 0.81 RAB9A (0.58) GAATHRBTDP1MEN1MAPT
SCHEMBL10487196 0.80 CYP3A4 (0.64) GAATHRBTDP1MEN1MAPT
SCHEMBL4667166 0.80 ALDH1A1 (0.58) TDP1MEN1MAPTKMT2AELANE
SCHEMBL31037362 0.79 CYP19A1 (0.52) GAATHRBTDP1MEN1MAPT
SCHEMBL9807395 0.79 ELANE (0.50) GAATDP1MEN1MAPTKMT2A
SCHEMBL9807396 0.79 ALDH1A1 (0.55) TDP1ELANECYP3A4ALDH1A1ALOX15

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
CN-109970581-A The production technology of 2- Amino-4-nitrophenol 石家庄阮蔻贸易有限公司 2019-07-05 — — CN disclosed
CN-109691587-A Improve the phagostimulant processing method of Tilapia mossambica feed intake 广西南宁市武鸣明山红农业科技开发有限公司 2019-04-30 — — CN disclosed
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