SCHEMBL6975698

SCHEMBL6975698

COc1ccc2c(c1)c(OCCOc1c(Br)cc([N+](=O)[O-])cc1Br)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.39
CNR2 P34972 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
ACHE P22303 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 2/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6971751 0.96 CNR2 (0.41) HTR6CNR2MAPTKMT2AACHE
SCHEMBL6967847 0.88 ALDH1A1 (0.45) HTR6CNR2MAPTKMT2AACHE
SCHEMBL6967992 0.84 HTR6 (0.39) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6965248 0.84 CNR2 (0.46) HTR6CNR2MAPTKMT2AACHE
SCHEMBL6971803 0.83 HTR6 (0.41) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6972954 0.82 HTR6 (0.42) HTR6CNR2MAPTKMT2AACHE
SCHEMBL6977194 0.82 HTR6 (0.45) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6975027 0.82 HTR6 (0.45) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6967417 0.81 HTR6 (0.41) HTR6MAPTKMT2AKDM4EMEN1
SCHEMBL6971624 0.81 HTR6 (0.41) HTR6MAPTKMT2AKDM4EMEN1

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