SCHEMBL67807

SCHEMBL67807

[c]1coc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NOTUM Q6P988 5/20 0.43
NR1H4 Q96RI1 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL5544434 0.78 DGAT1 (0.41) NPC1RAB9ASMN1; SMN2NR1H4ALDH1A1
SCHEMBL8835176 0.78 NOTUM (0.47) NPC1RAB9ASMN1; SMN2NOTUMNR1H4
SCHEMBL7507841 0.77 NOTUM (0.53) NPC1RAB9ASMN1; SMN2NOTUMALOX15
SCHEMBL7514588 0.77 NOTUM (0.53) NOTUMKDM4EMEN1KMT2AMAPT
SCHEMBL2095822 0.74 KIF11 (0.44) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL2753254 0.70 AHR (0.46) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL2753018 0.70 GRM5 (0.33) NOTUM
SCHEMBL9454066 0.70 HSD17B10 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2750255 0.66 RAB9A (0.41) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL46426 0.62 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NOTUMATAD2

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

Appears in 7561 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US claimed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO claimed
US-10018623-B1 Molecular probes for ascorbate detection and methods of use THE UNIVERSITY OF HONG KONG (HK) 2018-07-10 US claimed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US claimed
CN-102264728-B Methods and compositions for modulating IRE1, SRC and ABL activity UNIV CALIFORNIA 2015-02-04 CN claimed
US-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US claimed
US-8883765-B2 Anti-cytomegalovirus activity of artemisinin-derived dimers THE JOHN HOPKINS UNIVERSITY (US) 2014-11-11 US claimed
US-8884032-B2 Trioxane monomers and dimers THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-11 US claimed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP claimed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO claimed
EP-0789570-A4 ORAL HYPOGLYCEMIC AGENTS LILLY CO ELI (US) 1998-09-30 EP claimed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998022430-A9 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS 1998-08-20 WO claimed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
WO-1998022430-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
WO-1998022433-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
EP-0789570-A1 ORAL HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1997-08-20 EP claimed
WO-1996013264-A1 ORAL HYPOGLYCEMIC AGENTS ELI LILLY AND COMPANY (US) 1996-05-09 WO claimed