SCHEMBL11238331

SCHEMBL11238331

CC(=O)N(C(C)=O)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP6 P55212 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
NSD2 O96028 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL12126048 0.84 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1KMT2A
SCHEMBL9402407 0.84 LMNA (0.39) CRHBPCRHR2TSHRALDH1A1HSD17B10
SCHEMBL9402400 0.84 LMNA (0.39) CRHBPCRHR2TSHRALDH1A1HSD17B10
SCHEMBL11247415 0.82 TSHR (0.41) CRHBPCRHR2TSHRALDH1A1HSD17B10
SCHEMBL10398568 0.80 CRHBP (0.65) CRHBPCRHR2TSHRALDH1A1HSD17B10
SCHEMBL10348034 0.79 NSD2 (0.54) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL27809968 0.78 NSD2 (0.53) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL5499811 0.78 NSD2 (0.53) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL9751585 0.76 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1KMT2A
SCHEMBL11438428 0.76 CRHBP (0.51) CRHBPCRHR2TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342684-A USED FOR DYEING LEATHER, WOOL, SILK AND POLYAMIDES P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-08-03 US disclosed
US-3969339-A Water-soluble pentakis-azo dyestuffs derived from 4,4'-diaminoazobenzene PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-07-13 US disclosed