SCHEMBL9768796

SCHEMBL9768796

Cc1ccc(N)cc1N.Nc1cc(S(=O)(=O)O)c(N)c(S(=O)(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.57
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CASP6 P55212 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ELAVL1 Q15717 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.44
NSD2 O96028 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 4/20 0.40
TSHR P16473 4/20 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
Sulfuric Acid SCHEMBL909657 0.84 CASP1 (0.74) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL151537 0.82 ALDH1A1 (0.54) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL29648925 0.82 ALDH1A1 (0.54) CASP1ALDH1A1TDP1L3MBTL1MAPT
Sulfuric Acid SCHEMBL27657519 0.80 CASP1 (0.68) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL29045366 0.80 ALDH1A1 (0.53) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8394451 0.80 ALDH1A1 (0.53) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1270607 0.80 ALDH1A1 (0.53) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL10921413 0.80 ALDH1A1 (0.47) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL10847621 0.78 ALDH1A1 (0.46) CASP1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL30922153 0.78 ALDH1A1 (0.46) CASP1ALDH1A1TDP1L3MBTL1MAPT

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
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed