SCHEMBL17844140

SCHEMBL17844140

CCCCn1sc(-c2ccccc2)c(NCc2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 3/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
C5AR1 P21730 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3503724 0.88 MAPT (0.45) SMN1; SMN2LMNAMAPTMAPK1NPSR1
SCHEMBL5200606 0.82 MEN1 (0.38) SMN1; SMN2LMNAL3MBTL1MAPTMAPK1
SCHEMBL17844158 0.79 GAA (0.43) SMN1; SMN2L3MBTL1MAPTMAPK1KDM4E
SCHEMBL5198203 0.79 CASP3 (0.43) SMN1; SMN2LMNAL3MBTL1MAPTMAPK1
SCHEMBL17844161 0.78 FAAH (0.44) SMN1; SMN2LMNAL3MBTL1MAPTNPSR1
SCHEMBL17844142 0.76 GAA (0.38) SMN1; SMN2LMNAL3MBTL1MAPTNPSR1
SCHEMBL19127998 0.75 POLB (0.44) SMN1; SMN2LMNAMAPTMAPK1NPSR1
SCHEMBL17844198 0.75 MEN1 (0.48) SMN1; SMN2LMNAMAPTNPSR1ALDH1A1
SCHEMBL5184388 0.74 FAAH (0.47) SMN1; SMN2LMNAL3MBTL1MAPTMAPK1
SCHEMBL17844174 0.74 FAAH (0.40) L3MBTL1MAPTNPSR1KDM4EALDH1A1

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed