SCHEMBL9737778

SCHEMBL9737778

[2H]c1[nH]c2ccc(OC)cc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.43
HTR6 P50406 2/20 0.43
CNR2 P34972 1/20 0.43
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5784803 0.86 MAPT (0.78) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9737118 0.72 MAPT (0.45) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9737712 0.71 ALDH1A1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5261284 0.71 ALDH1A1 (0.49) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL19717983 0.70 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL28702767 0.70 HTR6 (0.56) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL28405115 0.70 MAPT (0.65) MAPTLMNAHTTSMN1; SMN2TP53
SCHEMBL11015974 0.69 CA2 (0.47) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7245923 0.69 CA2 (0.65) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17209145 0.68 HTR6 (0.48) MAPTLMNAHTTALDH1A1GAA

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
US-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed