SCHEMBL9259716

SCHEMBL9259716

Cc1cc(C)nc(NC(=O)C2=COc3cc(O)ccc3O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
SORT1 Q99523 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 3/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 3/20 0.39

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
SCHEMBL9257311 0.80 LCK (0.42) LCKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9260790 0.76 MEN1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL9255250 0.75 IDH1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL9255027 0.71 CA12 (0.45) NPC1RAB9AKMT2AMAPTCYP1A2
SCHEMBL9260067 0.70 ALDH1A1 (0.47) SMN1; SMN2NPC1KMT2AMAPTCYP3A4
SCHEMBL9259818 0.70 KDR (0.53) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL7817781 0.69 CA12 (0.37) KMT2ACYP3A4ALDH1A1HPGDMEN1
SCHEMBL9262412 0.68 NAAA (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL8580093 0.68 CA12 (0.49) SMN1; SMN2KMT2AMAPTLMNACYP1A2
SCHEMBL14097068 0.68 LCK (0.66) LCKCHRNB2CHRNB4CHRNA3CHRNA4

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