SCHEMBL6423919

SCHEMBL6423919

O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA12 O43570 3/20 0.67
CA9 Q16790 3/20 0.67
CA14 Q9ULX7 3/20 0.67
APP P05067 1/20 0.65
ALDH1A1 P00352 4/20 0.62
HSD17B10 Q99714 2/20 0.62
ACHE P22303 1/20 0.62
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.59
CES1 P23141 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54

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
SCHEMBL28198 1.00 CA1 (0.67) CA1CA2CA12CA9CA14
Water SCHEMBL28670631 0.97 CA1 (0.64) CA1CA2CA12CA9CA14
Fluoromethane SCHEMBL28260001 0.92 HSD17B10 (0.61) CA1CA2CA12CA9CA14
SCHEMBL9321465 0.92 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL28711861 0.90 ALDH1A1 (0.65) CA1CA2CA12CA9CA14
SCHEMBL22567 0.90 ALDH1A1 (0.72) CA1CA2CA12CA9CA14
SCHEMBL27909482 0.90 ALDH1A1 (0.72) CA1CA2CA12CA9CA14
SCHEMBL25187033 0.89 MAPK1 (0.74) CA1CA2CA12CA9CA14
SCHEMBL167524 0.89 MAPK1 (0.74) CA1CA2CA12CA9CA14
Bicarbonate SCHEMBL1562172 0.89 MAPK1 (0.68) CA1CA2CA12CA9CA14

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137239-A MUSCLE RELAXANTS; REDUCTION, ALKYLATION KHROMOV BORISOV NIKOLAI V 1979-01-30 US claimed
US-20250011590-A1 OPTICAL FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2025-01-09 US disclosed
EP-4431989-A1 OPTICAL FILM AND POLARIZING PLATE Tosoh Corporation (JP) 2024-09-18 EP disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
EP-4299283-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE Tosoh Corporation (JP) 2024-01-03 EP disclosed
CN-117157337-A Fumaric acid diester resin, film and polarizing plate 东曹株式会社 2023-12-01 CN disclosed
WO-2023090353-A1 OPTICAL FILM AND POLARIZING PLATE 東ソー株式会社 2023-05-25 WO disclosed
WO-2022210589-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE 東ソー株式会社 2022-10-06 WO disclosed
EP-0489085-B1 RIGID-ROD POLYMERS MISSISSIPPI POLYMER TECHNOLOGI (US) 2005-12-07 EP disclosed
US-5659005-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1997-08-19 US disclosed
US-5227457-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1993-07-13 US disclosed
EP-0489085-A4 RIGID-ROD POLYMERS MAXDEM INC (US) 1992-08-05 EP disclosed
EP-0489085-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1992-06-10 EP disclosed
EP-0401296-A4 RIGID-ROD POLYMERS MAXDEM INC (US) 1992-03-18 EP disclosed
WO-1991002764-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1991-03-07 WO disclosed
EP-0401296-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1990-12-12 EP disclosed
WO-1989007617-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1989-08-24 WO disclosed
US-4137239-A MUSCLE RELAXANTS; REDUCTION, ALKYLATION KHROMOV BORISOV NIKOLAI V 1979-01-30 US disclosed
US-4137239-A MUSCLE RELAXANTS; REDUCTION, ALKYLATION KHROMOV BORISOV NIKOLAI V 1979-01-30 US disclosed
US-4060652-A Nondepolarizing muscle relaxant KHROMOV BORISOV NIKOLAI VASILI 1977-11-29 US disclosed