SCHEMBL6965033

SCHEMBL6965033

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)cc1)nn2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.44
AKR1C2 P52895 11/20 0.44
HTR6 P50406 1/20 0.44
PKM P14618 1/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PTGS1 P23219 3/20 0.42
AKR1C4 P17516 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6968051 0.99 AKR1C3 (0.46) AKR1C3AKR1C2HTR6PKMPTGES
SCHEMBL6975974 0.96 AKR1C3 (0.48) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6967255 0.94 AKR1C3 (0.42) AKR1C3AKR1C2HTR6PKMPTGES
SCHEMBL6967437 0.87 KMT2A (0.43) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6968667 0.85 HTR6 (0.48) AKR1C3AKR1C2HTR6PKMPTGS1
SCHEMBL6970702 0.84 HTR6 (0.47) AKR1C3AKR1C2HTR6PKMPTGS1
SCHEMBL6977877 0.84 HTR6 (0.46) HTR6PKMALDH1A1GAAMAPK1
SCHEMBL6975027 0.81 HTR6 (0.45) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6966090 0.80 HTR6 (0.44) AKR1C3AKR1C2HTR6PTGS1MEN1
SCHEMBL6972542 0.80 MAPT (0.47) AKR1C3AKR1C2HTR6PTGESALOX5

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