SCHEMBL6970855

SCHEMBL6970855

COc1ccc2c(c1)c(OCC(=O)Nc1ccc(F)cc1F)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.53
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
BRD4 O60885 1/20 0.42
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7080877 0.91 ALDH1A1 (0.46) KCNA5ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL8042454 0.86 KCNA5 (0.42) KCNA5ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL6963364 0.85 MEN1 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6975922 0.85 NPC1 (0.43) KCNA5ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL6967275 0.81 HTR6 (0.42) KCNA5ALDH1A1MAPTRXFP1MEN1
SCHEMBL6971624 0.79 HTR6 (0.41) KCNA5ALDH1A1MAPTRXFP1MEN1
SCHEMBL6969751 0.79 SGMS1 (0.47) ALDH1A1NPC1KMT2ATP53
SCHEMBL8042460 0.79 KCNA5 (0.39) KCNA5ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL6966615 0.77 KMT2A (0.43) ALDH1A1MAPTRXFP1MEN1KMT2A
SCHEMBL6975974 0.76 AKR1C3 (0.48) MAPTMEN1RAB9AKMT2ATP53

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 4 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 claimed
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 claimed
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