SCHEMBL7348258

SCHEMBL7348258

O=[N+]([O-])c1ccc(OCC2=CO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MAPT P10636 4/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
MAOB P27338 1/20 0.53
PTGS2 P35354 1/20 0.50
PLA2G4B P0C869 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL28621039 0.81 CA12 (0.76) LMNAMAPTCA12CA1CA2
SCHEMBL8746688 0.78 LMNA (0.58) LMNAMAPTCA12CA1CA2
SCHEMBL6228523 0.78 MAPT (0.65) LMNAMAPTPTGS2
SCHEMBL2081746 0.76 MAPT (0.71) LMNAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL10553766 0.76 LMNA (0.56) LMNAMAPTCA12CA1CA2
SCHEMBL6445603 0.76 LMNA (0.56) LMNAMAPTCA12CA1CA2
SCHEMBL28049501 0.76 LMNA (0.56) LMNAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL10553753 0.76 LMNA (0.56) LMNAMAPTCA12CA1CA2
SCHEMBL9570575 0.76 DRD2 (0.65) LMNAMAPTPTGS2
SCHEMBL8948956 0.75 CA12 (0.68) LMNAMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153589-A FOR TREATING VIRAL INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-11-28 US disclosed
US-5190969-A Epoxy derivatives of amino acids as viricides for treatment of HIV infections THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1993-03-02 US disclosed
US-5104892-A N-heteroalkyl substitutes 1-aryloxy-2-propanolamine AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-14 US disclosed
WO-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO disclosed