SCHEMBL5685149

SCHEMBL5685149

N=C(N)N/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
MAOB P27338 2/20 0.41
HTT P42858 2/20 0.41
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL5685153 1.00 NPC1 (0.53) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL27744415 0.85 NPC1 (0.47) NPC1RAB9AHDAC1HDAC2HDAC6
Itaconate SCHEMBL28357783 0.82 NPC1 (0.45) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL27668209 0.79 NPC1 (0.53) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL11341834 0.79 NPC1 (0.53) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL2033350 0.79 NPC1 (0.63) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL11341830 0.79 NPC1 (0.53) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL4960106 0.78 F2 (0.41) KMT2APLGPLAUPLATKLK1
Hydrochloric Acid SCHEMBL27781046 0.78 NPC1 (0.61) NPC1RAB9AHDAC1HDAC2HDAC6
SCHEMBL11333077 0.78 NPC1 (0.61) NPC1RAB9AHDAC1HDAC2HDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO claimed
EP-1112389-B1 PROCESS FOR RECOVERY OF GOLD AND/OR SILVER ORETEK LTD (AU) 2006-03-15 EP disclosed
EP-1112389-A4 PROCESS FOR RECOVERY OF GOLD AND/OR SILVER ORETEK LTD (AU) 2004-05-06 EP disclosed
EP-1112389-A1 PROCESS FOR RECOVERY OF GOLD AND/OR SILVER Arton (No. 001) Pty. Ltd. (AU) 2001-07-04 EP disclosed
WO-1999013116-A1 PROCESS FOR RECOVERY OF GOLD AND/OR SILVER ARTON (NO. 001) PTY. LTD. (AU) 1999-03-18 WO disclosed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO disclosed