SCHEMBL1715599

SCHEMBL1715599

Cc1ccccc1Nc1c(S(=O)(=O)O)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
HCRTR1 O43613 1/20 0.43
HKDC1 Q2TB90 1/20 0.41
CTRB1 P17538 1/20 0.41
G6PD P11413 1/20 0.40
TTR P02766 1/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL29864695 1.00 MEN1 (0.45) MEN1KMT2AGAAMAPTHPGD
SCHEMBL2177285 0.80 SNCA (0.50) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL28790103 0.80 TNNI3 (0.45) MEN1KMT2AGAAMAPTHPGD
SCHEMBL30674368 0.79 ALDH1A1 (0.43) MEN1KMT2AGAAMAPTHPGD
SCHEMBL5052239 0.79 ALDH1A1 (0.43) MEN1KMT2AGAAMAPTHPGD
SCHEMBL714638 0.79 TTR (0.51) GAAMAPTHPGDKDM4EALDH1A1
SCHEMBL6305294 0.79 MPL (0.45) MEN1KMT2AGAAMAPTHPGD
SCHEMBL21037491 0.76 ALDH1A1 (0.55) MEN1KMT2AGAAMAPTHPGD
SCHEMBL9338089 0.76 CTRB1 (0.44) GAAKDM4EHCRTR1HKDC1CTRB1
SCHEMBL10354309 0.75 CTRB1 (0.47) ALDH1A1HCRTR1HKDC1CTRB1G6PD

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
EP-2021800-B1 DETERMINATION OF CHANGES IN CONCENTRATION JACOBS UNIVERSITY BREMEN GMBH (DE) 2011-07-20 EP disclosed