SCHEMBL5488987

SCHEMBL5488987

N#Cc1ccc(-c2ccco2)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
P2RY6 Q15077 1/20 0.46
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 5/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CHEK2 O96017 1/20 0.45
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
PKM P14618 3/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL4952684 0.86 NPC1 (0.48) METAP2METAP1ALDH1A1KDM4EHSD17B10
SCHEMBL9725329 0.86 METAP2 (0.53) METAP2METAP1ALDH1A1KDM4EHSD17B10
SCHEMBL20550741 0.82 ALOX5 (0.64) METAP2METAP1ALDH1A1KDM4EHSD17B10
SCHEMBL20550742 0.80 ALOX5 (0.53) METAP2METAP1P2RY6ALDH1A1KDM4E
SCHEMBL12071689 0.77 SMN1; SMN2 (0.61) METAP2METAP1ALDH1A1KDM4EHSD17B10
Fuberidazole SCHEMBL29603252 0.76 ALOX5 (0.65) P2RY6ALDH1A1KDM4EHSD17B10HPGD
Fuberidazole SCHEMBL8817074 0.76 ALOX5 (0.65) P2RY6ALDH1A1KDM4EHSD17B10HPGD
Fuberidazole SCHEMBL23174 0.76 ALOX5 (0.65) P2RY6ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3503448 0.73 KDR (0.69) METAP2METAP1ALDH1A1KDM4EHSD17B10
SCHEMBL2312932 0.73 NPC1 (0.45) METAP2METAP1ALDH1A1KDM4EHSD17B10

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-1837024-A2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-09-26 EP disclosed
US-7183286-B2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-02-27 US disclosed
EP-1399163-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-03-24 EP disclosed
WO-2002055025-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2002-07-18 WO disclosed