SCHEMBL14098007

SCHEMBL14098007

C/C1=N\CCCCCCCN1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
NOS3 P29474 4/20 0.31
NOS1 P29475 4/20 0.31
NOS2 P35228 4/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL24132076 1.00 INMT (0.35) INMTUSP2ABCB11CHRM2MAOA
SCHEMBL13254008 0.98
SCHEMBL35675 0.90
Hydrochloric Acid SCHEMBL28745452 0.88
SCHEMBL10678677 0.82 MAOA (0.34) ABCB11CHRM2MAOAACHEPTGS1
SCHEMBL188612 0.79
Acetic Acid SCHEMBL20594401 0.79 LMNA (0.37) INMTABCB11CHRM2MAOAACHE
Hydrochloric Acid SCHEMBL1305896 0.77
Iodide SCHEMBL4181365 0.77
SCHEMBL7893277 0.72 MAOA (0.35) ABCB11CHRM2MAOAACHEPTGS1

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-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 EP disclosed