SCHEMBL14468049

SCHEMBL14468049

CC(=O)Nc1ccc([S+]([O-])CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ MB P02144 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ RARG P13631 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL21909284 0.86 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL3818227 0.84 CA1 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL11399811 0.81 ALDH1A1 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL11387426 0.79 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL6636363 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL9478167 0.78 ALDH1A1 (0.46) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL25379946 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL861674 0.76 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL18793009 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL10922931 0.75 NAPRT (0.62) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1

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-A2 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY MOUNT SINAI SCHOOL OF MEDICINE (US) 2007-07-26 — — WO disclosed
Send feedback