SCHEMBL6978862

SCHEMBL6978862

COc1ccc2c(c1)c(OCC=Cc1ccccc1)nn2S(=O)(=O)c1ccc(C)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6962715 0.89 HTR6 (0.41) HTR6ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL6962722 0.89 HTR6 (0.41) HTR6ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL6977906 0.83 CNR2 (0.40) HTR6MMP9KMT2ANPC1RAB9A
SCHEMBL6971590 0.78 AKR1C3 (0.38) ALDH1A1MAPTKMT2AMEN1
SCHEMBL6972549 0.77 KMT2A (0.39) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL6967854 0.77 PTPN11 (0.41) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL6973904 0.75 ALDH1A1 (0.46) GAATSHRALDH1A1MAPTKMT2A
SCHEMBL7080877 0.73 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL6962516 0.72 MAPT (0.45) HTR6ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL6969933 0.72 ALDH1A1 (0.45) HTR6TSHRALDH1A1MAPTKMT2A

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