SCHEMBL3731616

SCHEMBL3731616

O=C(OCl)c1cnccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL24339049 0.81 L3MBTL1 (0.40) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL3889500 0.79 L3MBTL1 (0.44) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL2579028 0.79 ALDH1A1 (0.52) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL1427356 0.78 TDP1 (0.42) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL3964969 0.78 TDP1 (0.65) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL3642887 0.77 NPC1 (0.52) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL30316868 0.76 KDM4C (0.53) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL229353 0.76 KDM4C (0.53) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL2905999 0.75 ALDH1A1 (0.44) TDP1SIRT3L3MBTL1ALDH1A1GAA
SCHEMBL1135627 0.75 SIRT3 (0.60) TDP1SIRT3L3MBTL1ALDH1A1KDM4E

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
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 — — WO disclosed
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