SCHEMBL9306635

SCHEMBL9306635

Oc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.64
CHEK1 O14757 1/20 0.60
PRKD3 O94806 1/20 0.60
PAK4 O96013 1/20 0.60
PDGFRA P16234 1/20 0.60
LTK P29376 1/20 0.60
MAP2K2 P36507 1/20 0.60
MAPK8 P45983 1/20 0.60
CDK8 P49336 1/20 0.60
RPS6KA3 P51812 1/20 0.60
PRKX P51817 1/20 0.60
NEK2 P51955 1/20 0.60
LIMK1 P53667 1/20 0.60
CDK5 Q00535 1/20 0.60
PRKCQ Q04759 1/20 0.60
MAP4K2 Q12851 1/20 0.60
ROCK1 Q13464 1/20 0.60
LRRK2 Q5S007 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
AURKB Q96GD4 1/20 0.60

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
SCHEMBL9306624 0.88 HPSE (0.52) HPSECHEK1PRKD3PAK4PDGFRA
SCHEMBL7248166 0.85 CHEK1 (0.69) CHEK1PRKD3PAK4PDGFRALTK
SCHEMBL21018195 0.83 CHEK1 (0.81) CHEK1PRKD3PAK4PDGFRALTK
SCHEMBL31612805 0.83 HPSE (0.86) HPSECHEK2NPC1ALDH1A1TP53
SCHEMBL21017799 0.80 HPSE (0.66) HPSECHEK2NPBWR1NPC1ALDH1A1
SCHEMBL21017817 0.80 CHEK2 (0.79) HPSEDGAT1KCNH2CHEK2NPC1
SCHEMBL7388571 0.79 NPC1 (0.69) HPSECHEK1PRKD3PAK4PDGFRA
SCHEMBL7394696 0.79 MEN1 (0.71) CHEK1PRKD3PAK4PDGFRALTK
SCHEMBL20982659 0.79 NPC1 (0.85) HPSECHEK2NPBWR1NPC1ALDH1A1
SCHEMBL18794741 0.79 CHEK2 (0.65) HPSECHEK2NPBWR1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5317078-A Lower glass transition temperature and improved solvent solubility of polyether molding materials of macrocyclic monomers polymerized using an alkali basic catalyst and solvent; films THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-05-31 US disclosed
US-5245044-A Di(hydroxyphenyl)-benzimidazole monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed