SCHEMBL6965248

SCHEMBL6965248

COc1ccc(S(=O)(=O)n2nc(OCCOc3ccc([N+](=O)[O-])cc3)c3cc(OC)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
ACHE P22303 3/20 0.46
CNR1 P21554 2/20 0.46
PTPN11 Q06124 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
GAA P10253 1/20 0.39
HTR6 P50406 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL6967847 0.95 ALDH1A1 (0.45) CNR2ACHECNR1PTPN11KMT2A
SCHEMBL6972954 0.94 HTR6 (0.42) CNR2ACHECNR1PTPN11KMT2A
SCHEMBL6967854 0.89 PTPN11 (0.41) CNR2ACHECNR1PTPN11KMT2A
SCHEMBL6971751 0.88 CNR2 (0.41) CNR2ACHECNR1PTPN11KMT2A
SCHEMBL6970702 0.87 HTR6 (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6978071 0.86 MEN1 (0.44) CNR2ACHECNR1PTPN11KMT2A
SCHEMBL6968667 0.85 HTR6 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6975698 0.84 HTR6 (0.39) CNR2ACHECNR1KMT2AMEN1
SCHEMBL6962516 0.83 MAPT (0.45) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL6975027 0.82 HTR6 (0.45) KMT2AMEN1MAPTALDH1A1HTR6

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