SCHEMBL14412995

SCHEMBL14412995

CC(=O)N(C)c1ccc(S(=O)(=O)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 3/20 0.45
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 7/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SRD5A1 P18405 1/20 0.38
ACLY P53396 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
SCHEMBL7290173 0.83 CA2 (0.54) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL7290168 0.80 ALDH1A1 (0.43) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL13589485 0.79 ENPP2 (0.48) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL483015 0.79 HSD11B1 (0.48) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL14468048 0.78 ALDH1A1 (0.40) SMN1; SMN2POLBHSD11B1ALDH1A1MAPT
SCHEMBL14341655 0.78 SMN1; SMN2 (0.61) ALOX15HSD17B10SMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL27809979 0.78 HSD11B1 (0.47) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL3067655 0.78 HSD11B1 (0.50) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL13588738 0.75 SMN1; SMN2 (0.45) ALOX15HSD17B10SMN1; SMN2POLBHSD11B1
SCHEMBL8953650 0.73 SMN1; SMN2 (0.50) ALOX15HSD17B10SMN1; SMN2POLBALDH1A1

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
WO-2007084625-A9 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY SINAI SCHOOL MEDICINE (US) 2007-09-13 WO disclosed