SCHEMBL358450

SCHEMBL358450

C=COCCCN(CC)CCOC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL358619 0.91 MEN1 (0.47) MEN1POLBKMT2AKDM4ECHRM2
SCHEMBL36341 0.87 KMT2A (0.56) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL1223705 0.86 KCNH2 (0.41) MEN1POLBKMT2AHTR1DHTR1B
SCHEMBL3071581 0.85 MEN1 (0.45) MEN1POLBKMT2AALDH1A1
SCHEMBL8663271 0.83 MEN1 (0.44) MEN1POLBKMT2AALDH1A1
SCHEMBL1222465 0.83 MEN1 (0.44) MEN1POLBKMT2AALDH1A1
SCHEMBL8663427 0.83 MEN1 (0.44) MEN1POLBKMT2AALDH1A1
SCHEMBL8662946 0.81 BCHE (0.33) MEN1POLBKMT2A
SCHEMBL36181 0.81 HTR1B (0.37) MEN1POLBKMT2AHTR1DHTR1B
SCHEMBL8663118 0.76 MEN1 (0.39) MEN1POLBKMT2AKDM4EALDH1A1

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
EP-2042571-B1 Ink composition FUJIFILM CORP (JP) 2012-03-14 EP disclosed
US-20090088492-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090088492-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042571-A1 Ink composition Fujifilm Corporation (JP) 2009-04-01 EP disclosed