SCHEMBL6854219

SCHEMBL6854219

O=c1cc(-c2ccc3ccccc3c2)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 7/20 0.68
▸ CTSL P07711 7/20 0.68
▸ HPGD P15428 4/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ TUBB4A P04350 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ TUBB P07437 1/20 0.68
▸ TUBA3C P0DPH7 1/20 0.68
▸ TUBA1B P68363 1/20 0.68
▸ TUBA4A P68366 1/20 0.68
▸ TUBB4B P68371 1/20 0.68
▸ TUBB3 Q13509 1/20 0.68
▸ TUBB2A Q13885 1/20 0.68
▸ TUBB8 Q3ZCM7 1/20 0.68
▸ TUBA3E Q6PEY2 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ TUBA1A Q71U36 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ TUBA1C Q9BQE3 1/20 0.68

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
SCHEMBL29411863 0.81 HPGD (1.00) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL367268 0.81 HPGD (1.00) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL26847008 0.79 CTSV (0.72) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL312542 0.79 CTSV (0.66) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL4109053 0.79 NPC1 (0.68) HPGDKDM4ELMNANPSR1HSD17B10
SCHEMBL30729276 0.79 NPC1 (0.68) HPGDKDM4ELMNANPSR1HSD17B10
SCHEMBL30935678 0.79 HPGD (1.00) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL6001399 0.79 CTSV (1.00) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL30462938 0.79 KDM4E (1.00) CTSVCTSLHPGDKDM4ELMNA
SCHEMBL29411879 0.79 CTSV (1.00) CTSVCTSLHPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377554-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-01-07 — — EP disclosed
US-6479504-B1 USED IN PREVENTATIVE AND THERAPEUTIC TREATMENTS OF AUTOIMMUNE DISEASES AND PHENOMENA, TRANSPLANT REJECTION SUCH AS HOST-VERSUS-GRAFT DISEASE, AND SEPSIS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-11-12 — — US disclosed
WO-2000076982-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2000-12-21 — — WO disclosed
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