SCHEMBL8744898

SCHEMBL8744898

O=C(Nc1ccc2c(c1)Cc1c(cccc1NC(=O)c1ccccc1)C2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
HTT P42858 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 4/20 0.52
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL8744889 0.86 NPC1 (0.71) NPC1RAB9ATP53GAANFKB1
SCHEMBL25970319 0.79 KDM4E (0.74) NPC1RAB9ATP53GAANFKB1
SCHEMBL3363253 0.78 KDM4E (0.82) NPC1RAB9ATP53GAANFKB1
SCHEMBL20887163 0.75 NPC1 (0.68) NPC1RAB9ATP53KDM4ELMNA
SCHEMBL11745852 0.72 NPC1 (0.56) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL531914 0.71 NPC1 (0.66) NPC1RAB9ATP53GAANFKB1
SCHEMBL6054998 0.71 L3MBTL1 (0.76) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL28987534 0.71 L3MBTL1 (0.72) NPC1RAB9ATP53GAANFKB1
SCHEMBL2298254 0.70 KCNK3 (1.00) NPC1RAB9ATP53KCNK3KCNK9
SCHEMBL11900392 0.70 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2KDM4E

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-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed