SCHEMBL6973904

SCHEMBL6973904

COc1ccc2c(c1)c(OCc1cc(C(C)=O)ccc1OC)nn2S(=O)(=O)c1ccc(C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 3/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6973899 0.90 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1MAPTPOLB
SCHEMBL6972549 0.81 KMT2A (0.39) ALDH1A1GAAMAPTPOLBHPGD
SCHEMBL6977906 0.80 CNR2 (0.40) KMT2AMEN1
SCHEMBL6971590 0.76 AKR1C3 (0.38) ALDH1A1MAPTKMT2AMEN1
SCHEMBL6967854 0.76 PTPN11 (0.41) ALDH1A1L3MBTL1MAPTPOLBKMT2A
SCHEMBL6978862 0.75 HTR6 (0.36) ALDH1A1GAAL3MBTL1MAPTPOLB
SCHEMBL7080877 0.73 ALDH1A1 (0.46) ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL6973625 0.70 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1MAPTPOLB
SCHEMBL6965738 0.70 MAPT (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6965033 0.70 AKR1C3 (0.44) ALDH1A1GAAMAPTKMT2AMEN1

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