SCHEMBL9259818

SCHEMBL9259818

O=C(Nc1cnc2ccccc2c1)C1=COc2cc(O)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 3/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9265072 0.87 NPSR1 (0.49) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9260790 0.76 MEN1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL995474 0.70 KDR (1.00) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2077491 0.70 TMPRSS4 (0.74) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9260067 0.70 ALDH1A1 (0.47) NPC1SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9259716 0.70 LCK (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27866684 0.70 NPC1 (0.80) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5578096 0.69 NPC1 (0.81) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL651159 0.68 KDR (0.74) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL935558 0.68 NPC1 (0.70) KDRNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed