SCHEMBL22647149

SCHEMBL22647149

O=c1c(O)cccc(Sc2cccc3ccccc23)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
IFNAR1 P17181 1/20 0.43
CDK2 P24941 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
INPPL1 O15357 1/20 0.41
NSD2 O96028 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7541876 0.80 CYP1A2 (0.61) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL31167972 0.78 IFNAR1 (0.60) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL577858 0.78 IFNAR1 (0.60) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL22647159 0.77 KDM4E (0.47) CDK2ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL30548749 0.75 IFNAR1 (0.58) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL7191375 0.75 CYP1A2 (0.54) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL16431316 0.73 DBH (0.44) CDK2ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL7482207 0.72 IFNAR1 (0.51) CYP1A2IFNAR1ALDH1A1MAPK1LMNA
SCHEMBL24121632 0.71 CDK2 (0.41) CDK2ALDH1A1MAPK1LMNAMEN1
SCHEMBL2434774 0.70 PTPN22 (0.58) CYP1A2ALDH1A1POLBHPGDHSD17B10

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-2020227180-A1 SULFUR AND AMIDE TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2020-11-12 WO disclosed