SCHEMBL6967437

SCHEMBL6967437

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
HTR6 P50406 3/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6967255 0.94 AKR1C3 (0.42) AKR1C3AKR1C2PTGESALOX5HTR6
SCHEMBL6975974 0.91 AKR1C3 (0.48) KMT2AMAPTAKR1C3AKR1C2PTGES
SCHEMBL6977877 0.89 HTR6 (0.46) KMT2AMAPTHTR6MEN1KDM4E
SCHEMBL6965033 0.87 AKR1C3 (0.44) KMT2AMAPTAKR1C3AKR1C2PTGES
SCHEMBL6968051 0.86 AKR1C3 (0.46) AKR1C3AKR1C2PTGESALOX5HTR6
SCHEMBL6977828 0.85 HTR6 (0.44) MAPTAKR1C3AKR1C2HTR6
SCHEMBL6975772 0.83 HTR6 (0.43) MAPTAKR1C3AKR1C2HTR6ALDH1A1
SCHEMBL6970836 0.81 PKM (0.40) KMT2AMAPTHTR6ALDH1A1
SCHEMBL6977822 0.81 MAPT (0.49) MAPTHTR6ALDH1A1GAA
SCHEMBL6972542 0.81 MAPT (0.47) KMT2AMAPTAKR1C3AKR1C2PTGES

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