SCHEMBL6967908

SCHEMBL6967908

COc1ccc2c(c1)c(OCC(=O)c1cccc3c1NC(=O)CC3)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.36
ALDH1A1 P00352 5/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BDKRB1 P46663 1/20 0.34
PKM P14618 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL6970836 0.84 PKM (0.40) HTR6ALDH1A1USP2KMT2AMAPT
SCHEMBL6975974 0.76 AKR1C3 (0.48) HTR6KMT2AMAPTNPSR1MEN1
SCHEMBL8042454 0.75 KCNA5 (0.42) ALDH1A1MAPTHTTL3MBTL1
SCHEMBL6967437 0.74 KMT2A (0.43) HTR6ALDH1A1KMT2AMAPTMEN1
SCHEMBL6962516 0.73 MAPT (0.45) HTR6ALDH1A1KMT2AMAPTMEN1
SCHEMBL6963364 0.73 MEN1 (0.54) HTR6ALDH1A1USP2KMT2AMAPT
SCHEMBL6972542 0.73 MAPT (0.47) HTR6ALDH1A1KMT2AMAPTMEN1
SCHEMBL6969933 0.73 ALDH1A1 (0.45) HTR6ALDH1A1KMT2AMAPTMEN1
SCHEMBL6969751 0.72 SGMS1 (0.47) HTR6ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL6967417 0.72 HTR6 (0.41) HTR6ALDH1A1KMT2AMAPTNPSR1

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