SCHEMBL10073820

SCHEMBL10073820

Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
APEX1 P27695 1/20 0.46
LMNA P02545 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
RPS6KA3 P51812 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
NT5E P21589 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL17290962 0.87 ALOX5 (0.47) PTGS1PTGS2ALOX5
SCHEMBL13070456 0.84 POLB (0.44) POLBKDM4ETDP1APEX1LMNA
SCHEMBL9612277 0.82 ALDH1A1 (0.48) POLBKDM4ETDP1APEX1LMNA
SCHEMBL23401391 0.79 L3MBTL1 (0.44) POLBKDM4ETDP1LMNACA9
SCHEMBL15298975 0.79 ALOX5 (0.46) POLBKDM4ETDP1APEX1CA12
SCHEMBL10049725 0.76 NPC1 (0.49) POLBKDM4ETDP1LMNACA9
SCHEMBL13557905 0.76 CYP2C19 (0.55) POLBKDM4ETDP1APEX1LMNA
SCHEMBL10049736 0.75 SMN1; SMN2 (0.52) POLBKDM4ETDP1APEX1ALDH1A1
SCHEMBL10049724 0.75 POLB (0.60) POLBKDM4ETDP1APEX1CA12
SCHEMBL15316250 0.74 PTGS2 (0.46) POLBKDM4ETDP1APEX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 US disclosed
US-20100199443-A1 YELLO ANIONIC DISAZO DYES LENNARTZ MICHAEL 2010-08-12 US disclosed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 US disclosed