SCHEMBL7956840

SCHEMBL7956840

CCOC(=O)C(Cc1c[nH]c2ccccc12)=NO

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.51
SLC6A2 P23975 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8442871 1.00 PKM (0.67) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7956839 1.00 PKM (0.67) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13333443 0.90 PKM (0.67) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL17520646 0.84 NPSR1 (0.56) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL3845771 0.84 PKM (0.74) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3849942 0.83 GABRA1 (0.53) PKMKDM4E
SCHEMBL3849939 0.83 GABRA1 (0.53) PKMKDM4E
SCHEMBL8433873 0.83 GABRA1 (0.53) PKMKDM4E
SCHEMBL8862546 0.83 PKM (0.58) PKMMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8862543 0.83 PKM (0.58) PKMMAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US claimed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
EP-0421946-B1 3-indolepyruvic acid derivatives their method of production and therapeutic use POLIFARMA SPA (IT) 1996-11-20 EP disclosed
US-5210215-A Reacting indoles, dimethylamine and formaldehyde to gramines, condensing with malonic compounds to tryptophans, converting to 3-indolepyruvic acids; also preparation from indoles by reaction with alkyl ester oximes of 3-bromopyruvic acid POLIFARMA S.P.A. (IT) 1993-05-11 US disclosed
EP-0421946-A2 3-indolepyruvic acid derivatives their method of production and therapeutic use POLIFARMA S.p.A. (IT) 1991-04-10 EP disclosed