SCHEMBL14065809

SCHEMBL14065809

CCc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
NLRP3 Q96P20 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
USP2 O75604 3/20 0.37
RGS12 O14924 2/20 0.37
POLB P06746 1/20 0.37
TERT O14746 1/20 0.35
APAF1 O14727 1/20 0.34
DHFR P00374 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
NQO2 P16083 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
SCHEMBL20969331 0.93 NPC1 (0.50) NPC1RAB9ANLRP3L3MBTL1MEN1
Butane SCHEMBL931598 0.89 NPC1 (0.49) NPC1RAB9ANLRP3L3MBTL1MEN1
SCHEMBL31680480 0.89 NPC1 (0.47) NPC1RAB9ANLRP3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL29353138 0.89 NPC1 (0.47) NPC1RAB9ANLRP3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL15265 0.89 NPC1 (0.47) NPC1RAB9ANLRP3L3MBTL1MEN1
SCHEMBL114128 0.89 NPC1 (0.47) NPC1RAB9ANLRP3L3MBTL1MEN1
SCHEMBL12336666 0.86 NPC1 (0.45) NPC1RAB9ANLRP3L3MBTL1MEN1
SCHEMBL20969285 0.81 NPC1 (0.60) NPC1RAB9ANLRP3L3MBTL1MEN1
Hydrochloric Acid SCHEMBL20969348 0.81 NPC1 (0.60) NPC1RAB9ANLRP3L3MBTL1MEN1
SCHEMBL9279411 0.81 NPC1 (0.41) NPC1RAB9ANLRP3L3MBTL1MEN1

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-1685958-B1 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORP (JP) 2008-09-10 EP disclosed