SCHEMBL6594199

SCHEMBL6594199

COc1cc2sc(N(C)C)cc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 5/20 0.45
CHRNA7 P36544 1/20 0.37
ILK Q13418 10/20 0.36
KCNH2 Q12809 1/20 0.33
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7772384 0.81 HDAC3 (0.44) STING1MEN1NPC1ALDH1A1RAB9A
SCHEMBL17842709 0.71 STING1 (0.66) STING1CHRNA7
SCHEMBL19756737 0.71 STING1 (0.46) STING1CHRNA7ILKRAB9A
SCHEMBL16063135 0.70 STING1 (0.42) STING1CHRNA7ILKMEN1NPC1
SCHEMBL6598617 0.70 SRD5A1 (0.46) STING1CHRNA7MEN1NPC1RAB9A
SCHEMBL6142155 0.69 CA2 (0.51) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4804570 0.69 GRM1 (0.35) KCNH2MEN1NPC1ALDH1A1RAB9A
SCHEMBL19756674 0.67 RAB9A (0.40) STING1ILKMEN1NPC1ALDH1A1
SCHEMBL10286982 0.67 STING1 (0.42) STING1ILK
SCHEMBL2937347 0.66 LMNA (0.46) HTR1ARAB9A

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