SCHEMBL8559907

SCHEMBL8559907

O=S(=O)(Oc1ccc(CI)nc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CA12 O43570 2/20 0.37

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
SCHEMBL564269 0.85 TDP1 (0.49) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL27702178 0.82 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL564671 0.82 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6813857 0.80 TDP1 (0.44) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL7263592 0.77 TDP1 (0.41) TDP1MAPTALDH1A1PKMSMN1; SMN2
SCHEMBL8564373 0.76 TDP1 (0.53) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL6814536 0.74 TDP1 (0.50) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL5259969 0.73 SCN9A (0.40) TDP1L3MBTL1GAAMAPK1MAOB
SCHEMBL10678544 0.71 KMT2A (0.47) GAAMAPTALDH1A1HTTMEN1
SCHEMBL27702182 0.71 TDP1 (0.46) TDP1L3MBTL1GAAMAPK1MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US claimed
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US disclosed
US-5760237-A Synthesis of l-azatyrosine using pseudoephedrine as a chiral auxiliary CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-02 US disclosed