SCHEMBL7480988

SCHEMBL7480988

O=Cc1cc(-c2ccccc2)cc2ccoc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.44
PTPN1 P18031 3/20 0.41
PTPN2 P17706 2/20 0.41
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
IP6K1 Q92551 1/20 0.37
CYP2A6 P11509 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACLY P53396 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
SCHEMBL5155905 0.85 ESR1 (0.49) ERN1
SCHEMBL14620688 0.85 ERN1 (0.41) ERN1NPC1RAB9AMEN1KMT2A
SCHEMBL7489384 0.82 ERN1 (0.61) ERN1NPC1RAB9ACYP2A6KDM4E
SCHEMBL5153397 0.82 ERN1 (0.52) ERN1PTPN1TRIM24TRIM33NPC1
SCHEMBL7487505 0.81 ERN1 (0.50) ERN1
SCHEMBL7493466 0.79 ERN1 (0.36) ERN1CYP2A6
SCHEMBL7491658 0.77 ERN1 (0.48) ERN1
SCHEMBL7485876 0.77 ERN1 (0.40) ERN1
SCHEMBL4348787 0.77 ERN1 (0.41) ERN1PTPN1TRIM24TRIM33CYP2A6
SCHEMBL31141575 0.77 CYP2A6 (0.52) ERN1TRIM24TRIM33NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633699-B1 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-01-03 EP disclosed
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 EP disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 WO disclosed