SCHEMBL16390246

SCHEMBL16390246

O=[N+]([O-])c1ccc(CC(O)[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ IDO1 P14902 4/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.49
▸ AKR1C3 P42330 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CES1 P23141 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL1023274 0.84 TSHR (0.57) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL16008875 0.81 TSHR (0.53) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL10785716 0.81 TSHR (0.53) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL1625885 0.81 MEN1 (0.56) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL7103432 0.81 LMNA (0.56) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL1625595 0.81 MEN1 (0.56) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL1625876 0.81 MEN1 (0.56) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL714764 0.80 CPA1 (0.53) POLBCES1CYP1A2
Hydrochloric Acid SCHEMBL1097639 0.79 LOXL2 (0.55) TSHRLOXL2IDO1CYP2C19ALDH1A1
SCHEMBL27952504 0.79 TSHR (0.57) TSHRCYP2C19ALDH1A1LMNAPOLB

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
CN-112552224-A Synthesis method of 4-hydroxyindole 爱斯特(成都)生物制药股份有限公司 2021-03-26 — — CN disclosed
US-20150056367-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT SOKI CORPORATION (JP) 2015-02-26 — — US disclosed
EP-2827188-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT Soki Corporation (JP) 2015-01-21 — — EP disclosed
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