SCHEMBL361017

SCHEMBL361017

Cc1noc2nc(CCSc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.35
PIK3CD O00329 2/20 0.35
PIK3R1 P27986 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 4/20 0.34
TSHR P16473 3/20 0.34
PIK3CG P48736 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 4/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PLA2G1B P04054 1/20 0.33

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
SCHEMBL939004 0.91 ALDH1A1 (0.47) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL361016 0.80 PIK3CD (0.39) SMN1; SMN2PIK3CDPIK3R1HTTMAPT
SCHEMBL4238924 0.77 PIK3CD (0.48) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL371089 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL939003 0.76 PIK3CD (0.39) SMN1; SMN2PIK3CDPIK3R1PIK3CGNPSR1
SCHEMBL3626407 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL939030 0.71 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HTTLMNATSHR
SCHEMBL12912394 0.71 ALDH1A1 (0.56) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL12912404 0.71 ALDH1A1 (0.51) ALDH1A1HSD17B10RXFP1SMN1; SMN2PIK3CD
SCHEMBL734395 0.71 ALDH1A1 (0.72) ALDH1A1HSD17B10RXFP1SMN1; SMN2HTT

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