SCHEMBL6598617

SCHEMBL6598617

COc1cc2cc(N(C)C)sc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.46
SRD5A2 P31213 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
TLR9 Q9NR96 2/20 0.43
TLR7 Q9NYK1 2/20 0.43

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
SCHEMBL21405928 0.79 SRD5A1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL30417131 0.79 SRD5A1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL30449069 0.79 SRD5A1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL23480428 0.79 SRD5A1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL23480426 0.78 CLK1 (0.54) SRD5A1SRD5A2APPSTING1
SCHEMBL6172684 0.77 ALOX5 (0.54) MEN1KMT2ACYP1A2CYP3A4NPC1
SCHEMBL29071004 0.77 STING1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL21405857 0.77 STING1 (0.54) SRD5A1SRD5A2STING1
SCHEMBL30449057 0.77 STING1 (0.57) SRD5A1SRD5A2STING1
SCHEMBL23480429 0.74 STING1 (0.76) STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed