SCHEMBL6977828

SCHEMBL6977828

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)c(Cl)c1)nn2S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
SLC2A1 P11166 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.35
KDR P35968 1/20 0.35
MET P08581 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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 0.86 AKR1C3 (0.42) HTR6AKR1C3AKR1C2PTGDR2
SCHEMBL6967437 0.85 KMT2A (0.43) HTR6AKR1C3AKR1C2MAPT
SCHEMBL6977822 0.85 MAPT (0.49) HTR6MAPTALOX15HTT
SCHEMBL6975772 0.83 HTR6 (0.43) HTR6NPC1RAB9ADRD2HTR2A
SCHEMBL6977877 0.82 HTR6 (0.46) HTR6RAB9AMAPTHTT
SCHEMBL6965033 0.80 AKR1C3 (0.44) HTR6RAB9ACYP1A2AKR1C3AKR1C2
SCHEMBL6968051 0.79 AKR1C3 (0.46) HTR6AKR1C3AKR1C2PTGDR2
SCHEMBL6975974 0.77 AKR1C3 (0.48) HTR6RAB9ACYP1A2AKR1C3AKR1C2
SCHEMBL6970836 0.69 PKM (0.40) HTR6CYP3A4CYP1A2MAPTALOX15
SCHEMBL6975922 0.68 NPC1 (0.43) NPC1RAB9ACYP1A2AKR1C3AKR1C2

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