SCHEMBL18538249

SCHEMBL18538249

Cc1ccc(C(=O)Nc2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(C)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 3/20 0.73
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 3/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL18538247 0.80 ING2 (0.70) ING2HTTGAAMAPTSMN1; SMN2
SCHEMBL22828087 0.80 ING2 (0.81) ING2GAAMAPTALDH1A1KMT2A
SCHEMBL18538309 0.80 ING2 (0.52) ING2
SCHEMBL19817546 0.78 ING2 (0.89) ING2GAAMAPTNPC1RAB9A
SCHEMBL19817553 0.78 ING2 (0.89) ING2GAAMAPTNPC1RAB9A
SCHEMBL18538312 0.78 ING2 (0.62) ING2GAAMAPTMEN1KMT2A
SCHEMBL19762894 0.76 ING2 (0.68) ING2GAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL18538282 0.75 ING2 (0.59) ING2SMN1; SMN2ALDH1A1
SCHEMBL18538283 0.74 ING2 (0.68) ING2HTTGAAMAPTSMN1; SMN2
SCHEMBL18538301 0.73 ING2 (0.68) ING2GAAMAPTALDH1A1CYP1A2

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-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 US disclosed