SCHEMBL10073818

SCHEMBL10073818

Cc1nn(-c2cccc(S(=O)(=O)O)c2)c(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 4/20 0.44
APEX1 P27695 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 5/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
RIPK2 O43353 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 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
SCHEMBL13070435 0.82 ALDH1A1 (0.44) TDP1ALDH1A1TSHRHSD17B10POLB
SCHEMBL391754 0.82 ALDH1A1 (0.61) TDP1ALDH1A1TSHRHSD17B10POLB
SCHEMBL4070024 0.81 KMT2A (0.50) TDP1ALDH1A1HSD17B10MAPTMAPK1
SCHEMBL13763709 0.78 MAPT (0.47) TDP1ALDH1A1POLBAPEX1KDM4E
SCHEMBL14648634 0.77 ALDH1A1 (0.63) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11519310 0.76 CA1 (0.44) TDP1ALDH1A1TSHRHSD17B10POLB
SCHEMBL13861820 0.76 SNCA (0.42) TDP1ALDH1A1TSHRPOLBAPEX1
SCHEMBL5803930 0.75 ALDH1A1 (0.42) TDP1ALDH1A1TSHRHSD17B10POLB
SCHEMBL12395128 0.75 SMN1; SMN2 (0.53) ALDH1A1POLBMAPTMAPK1GAA
SCHEMBL12335151 0.75 SMN1; SMN2 (0.54) TDP1ALDH1A1POLBMAPTMAPK1

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