SCHEMBL6975772

SCHEMBL6975772

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)c(Cl)c1)nn2S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.43
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 4/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 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
SCHEMBL6977822 0.90 MAPT (0.49) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL6967255 0.84 AKR1C3 (0.42) HTR6AKR1C3AKR1C2
SCHEMBL6967437 0.83 KMT2A (0.43) HTR6ALDH1A1MAPTAKR1C3AKR1C2
SCHEMBL6977828 0.83 HTR6 (0.44) HTR6DRD2HTR2AHTR7MAPT
SCHEMBL6977877 0.80 HTR6 (0.46) HTR6ALDH1A1MAPTPTGS2POLB
SCHEMBL6965033 0.77 AKR1C3 (0.44) HTR6ALDH1A1NPSR1MAPTPTGS2
SCHEMBL6968051 0.76 AKR1C3 (0.46) HTR6ALDH1A1PTGS2AKR1C3AKR1C2
SCHEMBL6975974 0.74 AKR1C3 (0.48) HTR6NPSR1MAPTPTGS2RAB9A
SCHEMBL1280692 0.67 POLB (0.57) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL6970836 0.66 PKM (0.40) HTR6ALDH1A1MAPTPOLBSMN1; SMN2

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 1 patent. 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