SCHEMBL6967255

SCHEMBL6967255

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)c(Cl)c1)nn2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.42
AKR1C2 P52895 12/20 0.42
PKM P14618 1/20 0.41
HTR6 P50406 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
AKR1C4 P17516 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6967437 0.94 KMT2A (0.43) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6965033 0.94 AKR1C3 (0.44) AKR1C3AKR1C2PKMHTR6PTGES
SCHEMBL6968051 0.93 AKR1C3 (0.46) AKR1C3AKR1C2PKMHTR6PTGES
SCHEMBL6975974 0.90 AKR1C3 (0.48) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6977877 0.90 HTR6 (0.46) PKMHTR6CA12CA1CA2
SCHEMBL6977828 0.86 HTR6 (0.44) AKR1C3AKR1C2HTR6PTGDR2
SCHEMBL6975772 0.84 HTR6 (0.43) AKR1C3AKR1C2HTR6
SCHEMBL6977822 0.82 MAPT (0.49) HTR6
SCHEMBL6968667 0.81 HTR6 (0.48) AKR1C3AKR1C2PKMHTR6PTGS1
SCHEMBL6970702 0.80 HTR6 (0.47) AKR1C3AKR1C2PKMHTR6PTGS1

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