SCHEMBL6977129

SCHEMBL6977129

COc1ccc2c(c1)c(OCc1cccc(C(F)(F)F)c1)nn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
HTR6 P50406 7/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAOB P27338 4/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
ADRB2 P07550 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NR4A2 P43354 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6973700 0.87 HTR6 (0.45) HTR6CYP3A4CYP2D6MAOB
SCHEMBL6977071 0.81 HTR6 (0.44) HTR6CYP3A4CYP2D6
SCHEMBL6977903 0.77 AR (0.46) HTR6MAOBMAPT
SCHEMBL6973721 0.77 L3MBTL1 (0.44) PPARGHTR6CYP2D6MAPTL3MBTL1
SCHEMBL6966090 0.76 HTR6 (0.44) HTR6CYP3A4CYP2D6AKR1C3AKR1C2
SCHEMBL6965738 0.75 MAPT (0.44) HTR6ADAM17MAPT
SCHEMBL6970750 0.74 MAPT (0.47) HTR6CYP3A4MAPTHTT
SCHEMBL6977499 0.74 MAPT (0.55) HTR6CYP3A4MAPTHTTL3MBTL1
SCHEMBL6961975 0.73 PTGDR (0.42) PPARGHTR6CYP3A4CYP2D6AKR1C3
SCHEMBL6973989 0.73 CNR2 (0.55) MAOBNR4A2

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