SCHEMBL6971241

SCHEMBL6971241

COc1ccc2c(c1)c(OCCOc1ccc(Cl)cc1)nn2S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
HTR6 P50406 3/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
CHRM5 P08912 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA9 Q16790 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADAM17 P78536 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
SCHEMBL6968667 0.92 HTR6 (0.48) AKR1C3AKR1C2HTR6PTGDR2MEN1
SCHEMBL6970702 0.91 HTR6 (0.47) AKR1C3AKR1C2HTR6PPARGPPARD
SCHEMBL6966090 0.90 HTR6 (0.44) AKR1C3AKR1C2HTR6MEN1KMT2A
SCHEMBL6975027 0.89 HTR6 (0.45) AKR1C3AKR1C2HTR6MEN1KMT2A
SCHEMBL6972954 0.85 HTR6 (0.42) HTR6MEN1KMT2APTGS1PTGS2
SCHEMBL6977301 0.80 HTR6 (0.40) AKR1C3AKR1C2HTR6PTGDR2MEN1
SCHEMBL6962516 0.80 MAPT (0.45) HTR6MEN1KMT2A
SCHEMBL6965248 0.79 CNR2 (0.46) HTR6PPARGPPARDPPARAMEN1
SCHEMBL6965033 0.78 AKR1C3 (0.44) AKR1C3AKR1C2HTR6PPARGPTGDR2
SCHEMBL6968051 0.77 AKR1C3 (0.46) AKR1C3AKR1C2HTR6PPARGPPARD

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 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