SCHEMBL10045647

SCHEMBL10045647

O=NC(=O)C1=NNC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMYD3 Q9H7B4 1/20 0.39
GFER P55789 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL27040299 0.78 LMNA (0.40) LMNAMAPK1NPC1RAB9AMAPT
SCHEMBL337724 0.77 NPC1 (0.44) LMNAMAPK1NPC1RAB9AMAPT
SCHEMBL13938473 0.75 NPC1 (0.46) LMNAMAPK1NPC1RAB9AMAPT
SCHEMBL5201218 0.75 SMYD3 (0.44) LMNAMAPK1NPC1RAB9AMAPT
SCHEMBL13779949 0.65 ALDH1A1 (0.59) LMNAMAPK1NPC1RAB9AMAPT
SCHEMBL10045649 0.62 RAB9A (0.43) NPC1RAB9AMAPTL3MBTL1GFER
SCHEMBL1092516 0.61
SCHEMBL7875062 0.61
SCHEMBL338764 0.60 SMN1; SMN2 (0.39) LMNANPC1RAB9AMAPTL3MBTL1
SCHEMBL27040200 0.60 SMN1; SMN2 (0.39) NPC1RAB9AMAPTL3MBTL1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535430-B2 Hydrazine filtration method and system NEW MEXICO HIGHLANDS UNIVERSITY (US) 2013-09-17 US disclosed
US-8097074-B2 Air filtration and absorption method and system for the remediation of hydrazine NEW MEXICO HIGHLANDS UNIVERSITY (US) 2012-01-17 US disclosed
US-20110182780-A1 HYDRAZINE FILTRATION METHOD AND SYSTEM NEW MEXICO HIGHLANDS UNIVERSITY 2011-07-28 US disclosed
US-20110011266-A1 AIR FILTRATION AND ABSORPTION METHOD AND SYSTEM FOR THE REMEDIATION OF HYDRAZINE NEW MEXICO HIGHLANDS UNIVERSITY 2011-01-20 US disclosed