SCHEMBL27645595

SCHEMBL27645595

CC(=O)On1cnc2cccc([N+](=O)[O-])c21.CCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.46
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
STAT1 P42224 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
HTT P42858 2/20 0.35
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4976405 0.93 FGFR1 (0.52) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3045527 0.78 FGFR1 (0.50) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3035802 0.78 FGFR1 (0.50) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14283222 0.73 FGFR1 (0.52) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL27645569 0.72 PSMB8 (0.37) FGFR1ALDH1A1SMN1; SMN2KMT2AHCAR1
SCHEMBL27645619 0.72 FGFR1 (0.33) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL27645618 0.72 CYP2C9 (0.34) FGFR1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL6117596 0.72 FGFR1 (0.57) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL29346035 0.70 FGFR1 (0.61) FGFR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4040299 0.70 NOTUM (0.37) FGFR1ALDH1A1KDM4ESMN1; SMN2MEN1

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
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed