SCHEMBL8589908

SCHEMBL8589908

Nc1c(-c2cccs2)cc(Br)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
IKBKB O14920 1/20 0.34
TDO2 P48775 1/20 0.34
AR P10275 1/20 0.34
RXFP1 Q9HBX9 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PPARG P37231 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL8298169 0.99 MAPT (0.38) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8589906 0.83 FTO (0.44) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8592814 0.80 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8298599 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8593940 0.75 AKR1C3 (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28547668 0.71 EDNRA (0.47) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8590358 0.70 CFTR (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8516341 0.69 CA1 (0.40) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL6936181 0.68 CA1 (0.43) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL27753938 0.68 MAOA (0.46) MAPTKDM4EALDH1A1HPGDTSHR

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
US-5739382-A INTERMEDIATES FOR ANTICOAGULANTS SYNTHELABO (FR) 1998-04-14 US disclosed
US-5712393-A FOR ANTITHROMBOTIC SYNTHELABO (FR) 1998-01-27 US disclosed