SCHEMBL6955607

SCHEMBL6955607

COc1nc(Cl)ccc1CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.48
PDCD1LG2 Q9BQ51 5/20 0.48
TAAR1 Q96RJ0 5/20 0.42
PDCD1 Q15116 1/20 0.39
ADRA1A P35348 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL6962543 0.82 CD274 (0.45) CD274PDCD1LG2PDCD1TUBB4ATUBB
SCHEMBL29370691 0.79 PDCD1LG2 (0.44) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL16419630 0.79 PDCD1LG2 (0.44) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL19237079 0.79 PDCD1LG2 (0.44) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL20467095 0.79 ALOX5 (0.41) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL21230758 0.78 ALOX5 (0.40) CD274PDCD1LG2
Hydrochloric Acid SCHEMBL28949992 0.78 PDCD1LG2 (0.43) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL29599024 0.78 PDCD1LG2 (0.43) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL17781570 0.78 PDCD1LG2 (0.43) CD274PDCD1LG2TUBB4ATUBBTUBA3C
SCHEMBL12479260 0.77 CD274 (0.44) CD274PDCD1LG2PDCD1TUBB4ATUBB

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-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed