SCHEMBL6969760

SCHEMBL6969760

COc1ccc2c(c1)c(OCC(O)c1ccc(Cl)cc1Cl)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
HTR6 P50406 4/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNA5 P22460 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL6975027 0.81 HTR6 (0.45) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6975922 0.80 NPC1 (0.43) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6975974 0.79 AKR1C3 (0.48) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6971803 0.77 HTR6 (0.41) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6968667 0.77 HTR6 (0.48) AKR1C3AKR1C2HTR6MAPTKMT2A
SCHEMBL6972368 0.76 HTR6 (0.40) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6970702 0.76 HTR6 (0.47) AKR1C3AKR1C2HTR6MAPTKMT2A
SCHEMBL6967437 0.76 KMT2A (0.43) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6965033 0.75 AKR1C3 (0.44) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6962516 0.74 MAPT (0.45) HTR6MAPTKMT2AKDM4EMEN1

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