SCHEMBL19254325

SCHEMBL19254325

CCCCCCNC(=O)c1cccc(C)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
NAAA Q02083 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.68
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
TP53 P04637 3/20 0.58
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
LMNA P02545 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MLYCD O95822 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL19254326 1.00 SMN1; SMN2 (0.71) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL13763462 1.00 SMN1; SMN2 (0.71) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL19124111 1.00 SMN1; SMN2 (0.71) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL10085277 0.98 SMN1; SMN2 (0.73) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL842634 0.94 SMN1; SMN2 (0.81) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL9492626 0.94 NPC1 (0.68) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A
SCHEMBL6535127 0.91 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1MAPTLMNA
SCHEMBL131829 0.91 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1MAPTLMNA
SCHEMBL1753828 0.87 L3MBTL1 (0.71) SMN1; SMN2L3MBTL1NPC1RAB9AMAPT
SCHEMBL24011629 0.87 HDAC3 (0.61) SMN1; SMN2NAAAL3MBTL1NPC1RAB9A

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-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO disclosed