SCHEMBL6972368

SCHEMBL6972368

COc1ccc2c(c1)c(OCc1ccc(Cl)cc1[N+](=O)[O-])nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
BCL2 P10415 2/20 0.38
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
ACHE P22303 2/20 0.37
CNR2 P34972 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL6975027 0.81 HTR6 (0.45) HTR6AKR1C3AKR1C2TP53ALDH1A1
SCHEMBL6967847 0.79 ALDH1A1 (0.45) HTR6POLBLMNAALDH1A1MAPT
SCHEMBL6965738 0.79 MAPT (0.44) HTR6TP53ALDH1A1MAPTKDM4E
SCHEMBL6972954 0.78 HTR6 (0.42) HTR6BCL2POLBLMNAALDH1A1
SCHEMBL6975974 0.77 AKR1C3 (0.48) HTR6AKR1C3AKR1C2LMNATP53
SCHEMBL6975698 0.77 HTR6 (0.39) HTR6TP53ALDH1A1MAPTACHE
SCHEMBL6966140 0.77 ALDH1A1 (0.50) HTR6POLBLMNAALDH1A1MAPT
SCHEMBL6968667 0.77 HTR6 (0.48) HTR6AKR1C3AKR1C2POLBLMNA
SCHEMBL6969760 0.76 AKR1C3 (0.39) HTR6AKR1C3AKR1C2TP53ALDH1A1
SCHEMBL6970702 0.76 HTR6 (0.47) HTR6AKR1C3AKR1C2POLBLMNA

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