SCHEMBL17844238

SCHEMBL17844238

COc1ccc(CCNc2c(-c3ccccc3)sn(C(C)C)c2=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.40
TTR P02766 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
TP53 P04637 1/20 0.39
SLK Q9H2G2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
APP P05067 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL3541635 0.91 MAPT (0.49) SMN1; SMN2GAAMAPK1L3MBTL1MAPT
SCHEMBL3544822 0.84 TOP2A (0.42) SMN1; SMN2GAAMAPK1L3MBTL1MAPT
SCHEMBL5197239 0.77 GSK3B (0.43) SMN1; SMN2GAAMAPTALDH1A1KDM4E
SCHEMBL5184337 0.75 MAOA (0.42) GAAL3MBTL1ALDH1A1HPGDUSP2
SCHEMBL1997180 0.73 SMN1; SMN2 (0.49) SMN1; SMN2GAAMAPK1L3MBTL1MAPT
SCHEMBL5185824 0.73 NPBWR1 (0.43) SMN1; SMN2GAAL3MBTL1MAPTALDH1A1
SCHEMBL17844146 0.73 HTR1B (0.39) SMN1; SMN2L3MBTL1MAPTLMNAHTR1D
SCHEMBL17844226 0.69 MAPK1 (0.37) SMN1; SMN2GAAMAPK1MAPTALDH1A1
SCHEMBL17844229 0.64 MEN1 (0.48) SMN1; SMN2GAAMAPK1L3MBTL1MAPT
SCHEMBL4094631 0.64 POLB (0.72) SMN1; SMN2GAAMAPK1MAPTALDH1A1

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