SCHEMBL6971624

SCHEMBL6971624

COc1ccc2c(c1)c(OCCOc1c(F)cc(F)cc1F)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KCNA5 P22460 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL6967992 0.94 HTR6 (0.39) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6967417 0.93 HTR6 (0.41) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6975124 0.89 HTR6 (0.39) HTR6KMT2AMAPTMEN1ALDH1A1
SCHEMBL6967275 0.89 HTR6 (0.42) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6977301 0.86 HTR6 (0.40) HTR6KMT2AMEN1CYP3A4CYP2D6
SCHEMBL6971803 0.85 HTR6 (0.41) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6962516 0.84 MAPT (0.45) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6975027 0.83 HTR6 (0.45) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6968042 0.82 KMT2A (0.43) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6969933 0.82 ALDH1A1 (0.45) HTR6KMT2AMAPTKDM4EMEN1

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