SCHEMBL6978830

SCHEMBL6978830

COc1ccc2[nH]nc(OS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.44
HTR6 P50406 2/20 0.41
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
FADS1 O60427 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL6974868 0.89 TTK (0.50) TTKCNR2FADS1LRRK2TUBB4A
SCHEMBL6970859 0.87 SMN1; SMN2 (0.49) TTKHTR6CNR2LRRK2TUBB4A
SCHEMBL6975273 0.86 MAPT (0.51) TTKCNR2LRRK2TUBB4ATUBB
SCHEMBL6966594 0.85 TTK (0.46) TTKCNR2FADS1LRRK2TUBB4A
SCHEMBL6977777 0.82 PRKAG1 (0.46) TTKCNR2MAPTTDP1L3MBTL1
SCHEMBL6970846 0.79 MTNR1A (0.53) TTKMAPTSMN1; SMN2LMNAHTT
SCHEMBL27942422 0.79 TRPA1 (0.44) HTR6CNR2FADS1LRRK2MAPT
SCHEMBL6964917 0.77 CNR2 (0.66) CNR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6974524 0.74 TTK (0.45) TTKHTR6CNR2FADS1LRRK2
SCHEMBL6979256 0.73 FADS1 (0.45) TTKCNR2FADS1LRRK2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US disclosed