SCHEMBL5483225

SCHEMBL5483225

NC(=O)CCc1cccc(C(=O)Nc2ncccc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ADORA3 P0DMS8 1/20 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
SCHEMBL5485489 0.83 TYK2 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23566394 0.75 USP2 (0.68) USP2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1885950 0.74 USP2 (0.60) USP2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5482260 0.73 THRB (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL7406453 0.72 MEN1 (0.67) SMN1; SMN2GAAALDH1A1KMT2AKDM4E
SCHEMBL6989374 0.70 PARP1 (0.50) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL2039310 0.70 FFAR1 (0.43)
SCHEMBL11887723 0.69 NPC1 (0.64) USP2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL30572312 0.68 HTR3E (0.59) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2473717 0.68 HTR3E (0.59) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1

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
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP claimed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO claimed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed