SCHEMBL7773262

SCHEMBL7773262

COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c[nH]2)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 11/20 0.45
PDGFRB P09619 3/20 0.44
KIT P10721 2/20 0.44
KDR P35968 2/20 0.44
AMY1A P0DUB6 2/20 0.43
PDGFRA P16234 1/20 0.43
NOX1 Q9Y5S8 1/20 0.41
AURKA O14965 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL7797121 0.89 PDGFRB (0.51) PDGFRBKITKDRPDGFRANOX1
SCHEMBL9168436 0.85 SMPD3 (0.59) SMPD3PDGFRBKITKDRAMY1A
SCHEMBL22291131 0.85 SMPD3 (0.59) SMPD3PDGFRBKITKDRAMY1A
SCHEMBL10353519 0.81 ERN1 (0.43) SMPD3PDGFRBKITKDRPDGFRA
SCHEMBL11614979 0.79 APP (0.50) PDGFRBKITKDRNOX1AURKA
SCHEMBL9331183 0.76 SMPD3 (0.73) SMPD3AMY1ANOX1TP53MAPT
SCHEMBL175592 0.76 SMPD3 (0.75) SMPD3NOX1TP53MAPT
Hydrochloric Acid SCHEMBL1735170 0.75 SMPD3 (0.71) SMPD3AMY1ANOX1TP53MAPT
Hydrochloric Acid SCHEMBL9648176 0.75 SMPD3 (0.73) SMPD3NOX1TP53MAPT
SCHEMBL7142021 0.75 NOX1 (0.54) NOX1AURKATP53MAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517327-B1 Immunoassay with labeled hapten analogues JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0740157-A2 Immunoassay element comprising both labeled ligand and receptors JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-10-30 EP disclosed
US-5422271-A Contains only one wash compartment containing wash liquid and only one passageway connecting compartment to detection site EASTMAN KODAK COMPANY (US) 1995-06-06 US disclosed
EP-0603958-A1 Improvement of the dynamic range in specific binding assays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1994-06-29 EP disclosed
US-5055195-A Coagulation, filtration, separation form whole blood; having two strongly polar groups separated by aromatic or heteroaroma tic rings BOEHRINGER MANNHEIM GMBH (DE) 1991-10-08 US disclosed