SCHEMBL9059725

SCHEMBL9059725

CN(C)Cc1c[nH]c2c(-c3ccccc3C=O)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 1/20 0.39
HTR6 P50406 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
SCHEMBL1424322 0.88 KDM4E (0.51) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL6048548 0.77 CYP1A2 (0.43) ALDH1A1KDM4EHSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL6048502 0.75 CYP1A2 (0.42) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL31415131 0.72 HTR2A (0.61) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL11494193 0.72 HTR2A (0.61) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL31188773 0.72 PIM1 (0.56) ALDH1A1KDM4EHSD17B10TRIM24TRIM33
SCHEMBL15267547 0.72 PIM1 (0.56) ALDH1A1KDM4EHSD17B10TRIM24TRIM33
SCHEMBL837784 0.71 GPR84 (0.67) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL838411 0.71 SLC6A4 (0.68) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL838779 0.71 KDM4E (0.56) ALDH1A1KDM4EHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258048-B1 2-AMINO-3-AROYL-GAMMA-OXOBENZENEBUTANOIC ACIDS AND ESTERS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-03-25 EP claimed
US-4855448-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-08 US claimed
EP-0258048-A2 2-Amino-3-aroyl-gamma-oxobenzenebutanoic acids and esters A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-03-02 EP claimed
JP-8231503-A None JP disclosed
JP-H08231503-A 7-AROYL-1H-INDOLE DERIVATIVE A H ROBINS CO INC 1996-09-10 JP disclosed
EP-0258048-B1 2-AMINO-3-AROYL-GAMMA-OXOBENZENEBUTANOIC ACIDS AND ESTERS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-03-25 EP disclosed
US-4855447-A ANTIINFLAMMATORY, 7-AROYL-1H-INDOLE-3-PROPANOIC OR PROPANEDIOIC ACID INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-08 US disclosed
US-4855448-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-08 US disclosed
US-4782089-A ANTIINFLAMMATORY, ANALGESIC A. H. ROBINS COMPANY, INCORPORATED (US) 1988-11-01 US disclosed
EP-0258048-A2 2-Amino-3-aroyl-gamma-oxobenzenebutanoic acids and esters A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-03-02 EP disclosed