SCHEMBL6967847

SCHEMBL6967847

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CNR2 P34972 4/20 0.42
ACHE P22303 3/20 0.42
CNR1 P21554 2/20 0.42
HTR6 P50406 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PTPN11 Q06124 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
HPGD P15428 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
SCHEMBL6965248 0.95 CNR2 (0.46) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6972954 0.92 HTR6 (0.42) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6975698 0.88 HTR6 (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6967854 0.88 PTPN11 (0.41) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6962516 0.88 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6975027 0.87 HTR6 (0.45) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6968042 0.86 KMT2A (0.43) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6969933 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6978071 0.84 MEN1 (0.44) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6976503 0.83 MAPT (0.41) ALDH1A1KMT2AMAPTMEN1KDM4E

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