SCHEMBL4011235

SCHEMBL4011235

CCCCCC(=O)c1ccccc1Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4007762 0.83
SCHEMBL8599819 0.80 PLA2G2A (0.44) MEN1MAPTKMT2AKDM4E
SCHEMBL8596001 0.76 SMN1; SMN2 (0.49) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL9143617 0.76 MAPT (0.58) MEN1MAPTMAPK1RAB9AKMT2A
SCHEMBL9602005 0.75 SMN1; SMN2 (0.51) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL10587724 0.75 SMN1; SMN2 (0.51) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL9439903 0.75 KMT2A (0.58) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL6718844 0.75 MAPT (0.50) MEN1MAPTMAPK1RAB9AKMT2A
SCHEMBL4157024 0.74 MAPT (0.39) MEN1MAPTMAPK1RAB9AKMT2A
SCHEMBL4011238 0.72 MAPT (0.55) MEN1MAPTMAPK1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 WO disclosed