SCHEMBL13936631

SCHEMBL13936631

CCCCOCN(COCCCC)c1nc(-c2ccccc2)nc(N(COCCCC)C(=O)CCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTB4R2 Q9NPC1 10/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR1 P30556 1/20 0.38
DHODH Q02127 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL2736010 0.86 ALDH1A1 (0.39) MEN1KMT2ATDP1ADORA3ADORA1
SCHEMBL8640915 0.86 BCHE (0.41) ADORA3ADORA1KDM4ENPC1ALDH1A1
SCHEMBL15943014 0.83 BCHE (0.37) ADORA3ADORA1KDM4ENPC1ALDH1A1
SCHEMBL13140691 0.83 MEN1 (0.41) MEN1KMT2ATDP1LTB4R2KDM4E
SCHEMBL13140684 0.83 BCHE (0.37) ADORA3ADORA1KDM4ENPC1ALDH1A1
SCHEMBL16361833 0.81 NUDT1 (0.38) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL21414071 0.81 BCHE (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL16408494 0.81 BCHE (0.38) ADORA3ADORA1KDM4ENPC1ALDH1A1
SCHEMBL438953 0.80 BCHE (0.37) KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11029614 0.80 BCHE (0.37) ADORA3ADORA1KDM4ENPC1ALDH1A1

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
US-7485409-B2 Planographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-03 US disclosed