SCHEMBL13638495

SCHEMBL13638495

Cc1cc(C)c(OC(=O)c2c3ccccc3nc3cc(-c4ccc(OCc5ccccc5)cc4)ccc23)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.45
MCL1 Q07820 4/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 4/20 0.41
FFAR1 O14842 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4194817 0.91 MEN1 (0.41) DHODHMCL1ENPP3ENPP1MEN1
SCHEMBL4188548 0.82 MCL1 (0.55) DHODHMCL1GSK3BFFAR1PTGER4
SCHEMBL4190377 0.79 MEN1 (0.42) MEN1KMT2AHSP90AA1GSK3B
SCHEMBL4806500 0.79 MEN1 (0.39) MEN1KMT2AHSP90AA1MAPTKDM4E
SCHEMBL13638494 0.79 ENPP3 (0.51) DHODHMCL1ENPP3ENPP1GSK3B
SCHEMBL4883541 0.78 LTA4H (0.39) DHODHMEN1KMT2AHSP90AA1
SCHEMBL7099359 0.77 MEN1 (0.41) MEN1KMT2AHSP90AA1MAPTF10
SCHEMBL7532967 0.77 TACR3 (0.47) DHODHMEN1KMT2ATDP1POLB
SCHEMBL9631380 0.76 TDP1 (0.47) DHODHKMT2AMAPTTDP1KDM4E
SCHEMBL7533840 0.76 TDP1 (0.42) DHODHMEN1KMT2AHSP90AA1MAPT

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-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed