SCHEMBL9448652

SCHEMBL9448652

Cc1cc(S(=O)(=O)O)ccc1N1CC(=O)C(C(=O)O)=N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.42
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APEX1 P27695 2/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
CTSG P08311 2/20 0.33
CMA1 P23946 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5162320 0.86 ALDH1A1 (0.39) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL9805829 0.84 ALDH1A1 (0.39) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL8990101 0.84 ALDH1A1 (0.56) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL5162080 0.78 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL5157504 0.75 ALDH1A1 (0.39) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL5159219 0.75 ALDH1A1 (0.39) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL11431757 0.70 ALDH1A1 (0.43) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL3658575 0.68 ALDH1A1 (0.55) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL7067362 0.68 ALDH1A1 (0.43) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL7890140 0.67 ALKBH5 (0.52) ALDH1A1MAPTGAALMNAKMT2A

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-5241058-A AZO DYE SALTS USEFUL AS MASKING COUPLERS AND PREPARATION THEREOF AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed