SCHEMBL6407919

SCHEMBL6407919

CCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
TP53 P04637 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
MAPT P10636 5/20 0.75
GAA P10253 2/20 0.71
HTT P42858 3/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 1/20 0.61
GLA P06280 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CACNA1G O43497 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL22871620 0.88 SMN1; SMN2 (0.97) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL28506259 0.87 SMN1; SMN2 (1.00) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL22500570 0.85 SMN1; SMN2 (0.76) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL6075470 0.84 SMN1; SMN2 (0.74) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29524613 0.80 GAA (0.67) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL28106923 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL13912 0.80 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL22500269 0.79 SMN1; SMN2 (0.81) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1917562 0.79 NPC1 (0.57) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14624176 0.78 SMN1; SMN2 (0.58) NPC1RAB9ATP53SMN1; SMN2MAPT

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
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP disclosed