SCHEMBL6586906

SCHEMBL6586906

O=CNc1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PABPC1 P11940 1/20 0.36
PTPN1 P18031 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
ERN1 O75460 1/20 0.32
TSHR P16473 2/20 0.31
CYP2A6 P11509 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.30
CA1 P00915 2/20 0.30

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
SCHEMBL29196014 0.77 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ETSHRCYP2A6
SCHEMBL12490002 0.74 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL1259375 0.73 ALDH1A1 (0.31) ALDH1A1TSHRCYP2A6HSD17B10TDP1
Hydrochloric Acid SCHEMBL27880883 0.72 ALDH1A1 (0.36) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL98430 0.69 PTPN1 (0.42) ALDH1A1PTPN1POLBMEN1KMT2A
SCHEMBL971315 0.69 KDM4E (0.41) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL27626197 0.68 PTPN1 (0.41) ALDH1A1PTPN1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL20542638 0.68 KDM4E (0.40) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL27290935 0.67 KDM4E (0.46) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL6207194 0.66 ALDH1A1 (0.41) ALDH1A1HTTHSD17B10

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
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed