SCHEMBL6972954

SCHEMBL6972954

COc1ccc2c(c1)c(OCCOc1ccc([N+](=O)[O-])cc1)nn2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CNR2 P34972 4/20 0.42
ACHE P22303 3/20 0.42
CNR1 P21554 2/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PTPN11 Q06124 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRAS P01112 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
SCHEMBL6965248 0.94 CNR2 (0.46) HTR6POLBALDH1A1CNR2ACHE
SCHEMBL6968667 0.92 HTR6 (0.48) HTR6POLBALDH1A1MAPK1PTGS2
SCHEMBL6967847 0.92 ALDH1A1 (0.45) HTR6POLBALDH1A1MAPK1CNR2
SCHEMBL6970702 0.91 HTR6 (0.47) HTR6POLBALDH1A1MAPK1PTGS2
SCHEMBL6975027 0.89 HTR6 (0.45) HTR6ALDH1A1PTGS2PTGS1MAPT
SCHEMBL6966090 0.88 HTR6 (0.44) HTR6PTGS2PTGS1MEN1KMT2A
SCHEMBL6967854 0.86 PTPN11 (0.41) POLBALDH1A1MAPK1CNR2ACHE
SCHEMBL6971241 0.85 AKR1C3 (0.46) HTR6PTGS2PTGS1MEN1KMT2A
SCHEMBL6971751 0.84 CNR2 (0.41) HTR6ALDH1A1CNR2ACHECNR1
SCHEMBL6970142 0.84 CNR2 (0.54) ALDH1A1CNR2ACHECNR1PTGS2

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