SCHEMBL371089

SCHEMBL371089

CCC1(CC)NOc2nc(CCSc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PIK3CG P48736 5/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3R1 P27986 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3626407 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10RXFP1SMN1; SMN2NPC1
SCHEMBL361017 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10RXFP1SMN1; SMN2NPC1
SCHEMBL4238924 0.75 PIK3CD (0.48) ALDH1A1HSD17B10RXFP1SMN1; SMN2HTT
SCHEMBL734395 0.69 ALDH1A1 (0.72) ALDH1A1HSD17B10RXFP1SMN1; SMN2NPC1
SCHEMBL12912394 0.67 ALDH1A1 (0.56) ALDH1A1HSD17B10RXFP1SMN1; SMN2NPC1
SCHEMBL939004 0.67 ALDH1A1 (0.47) ALDH1A1HSD17B10RXFP1SMN1; SMN2LMNA
SCHEMBL1703918 0.66 PIK3CD (0.58) ALDH1A1HSD17B10RXFP1SMN1; SMN2HTT
SCHEMBL12912404 0.66 ALDH1A1 (0.51) ALDH1A1HSD17B10RXFP1SMN1; SMN2HTT
SCHEMBL20409291 0.66 ALDH1A1 (0.61) ALDH1A1HSD17B10RXFP1SMN1; SMN2LMNA
SCHEMBL735173 0.65 PIK3CG (0.51) ALDH1A1HSD17B10RXFP1LMNAPIK3CG

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-2012009452-A1 THE ROLE OF P13K P110 DELTA SIGNALING IN RETROVIRAL INFECTION AND REPLICATION PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-19 WO claimed