SCHEMBL16160626

SCHEMBL16160626

O=C(O)c1cc([N+](=O)[O-])c(Cl)c([SH](=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.49
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TPMT P51580 1/20 0.44
▸ VCAM1 P19320 2/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ HCAR3 P49019 6/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL3146159 0.84 CASP6 (0.60) CASP6TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL10571715 0.83 CASP6 (0.58) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL29111608 0.80 CASP6 (0.55) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL30629252 0.80 CASP6 (0.55) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL22121032 0.78 TPMT (0.59) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL16577851 0.77 HCAR3 (0.46) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL10609914 0.77 TSHR (0.60) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL29886723 0.77 CASP6 (0.51) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL3770749 0.75 TTR (0.62) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL10606746 0.74 GAA (0.51) CASP6TSHRLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108963389-B Gelable system for lithium-air battery and preparation method and application thereof 北京师范大学 2020-11-13 — — CN claimed
CN-118619900-A Bumetanide impurity compound and preparation method and application thereof 仁合益康集团有限公司 2024-09-10 — — CN disclosed
CN-117567326-A Preparation method of bumetanide 山东诺明康药物研究院有限公司 2024-02-20 — — CN disclosed
CN-108962627-B Organic system super capacitor or capacitance battery 北京师范大学 2021-01-26 — — CN disclosed
CN-108963389-B Gelable system for lithium-air battery and preparation method and application thereof 北京师范大学 2020-11-13 — — CN disclosed
WO-2014165128-A2 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2014-10-09 — — WO disclosed
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