SCHEMBL6814536

SCHEMBL6814536

O=Cc1ccc(OS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAOB P27338 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 2/20 0.38

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
SCHEMBL5255332 0.85 KMT2A (0.45) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL8564373 0.78 TDP1 (0.53) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL31428799 0.77 TUBB4A (0.36) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL510017 0.75 LTA4H (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AGAA
SCHEMBL8559907 0.74 TDP1 (0.49) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL564269 0.74 TDP1 (0.49) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL27702182 0.72 TDP1 (0.46) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL27702178 0.72 TDP1 (0.46) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL564671 0.72 TDP1 (0.46) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL19146 0.71 TDP1 (0.73) TDP1ALDH1A1MAPTNPC1RAB9A

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-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed