SCHEMBL6971751

SCHEMBL6971751

COc1ccc(S(=O)(=O)n2nc(OCCOc3c(Br)cc([N+](=O)[O-])cc3Br)c3cc(OC)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
ACHE P22303 4/20 0.41
CNR1 P21554 3/20 0.41
HTR6 P50406 5/20 0.39
PTPN11 Q06124 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL6975698 0.96 HTR6 (0.39) CNR2ACHECNR1HTR6KMT2A
SCHEMBL6965248 0.88 CNR2 (0.46) CNR2ACHECNR1HTR6PTPN11
SCHEMBL6972954 0.84 HTR6 (0.42) CNR2ACHECNR1HTR6PTPN11
SCHEMBL6975124 0.84 HTR6 (0.39) HTR6KMT2AALDH1A1LMNAMEN1
SCHEMBL6967847 0.83 ALDH1A1 (0.45) CNR2ACHECNR1HTR6PTPN11
SCHEMBL6977301 0.81 HTR6 (0.40) HTR6KMT2AMEN1
SCHEMBL6970702 0.81 HTR6 (0.47) HTR6KMT2AALDH1A1LMNAMEN1
SCHEMBL6975193 0.80 CNR2 (0.51) CNR2ACHECNR1ALDH1A1LMNA
SCHEMBL6967992 0.80 HTR6 (0.39) HTR6KMT2AALDH1A1MEN1MAPT
SCHEMBL6968667 0.80 HTR6 (0.48) HTR6KMT2AALDH1A1LMNAMEN1

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