SCHEMBL8414712

SCHEMBL8414712

Cc1cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c(C)c1C)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 7/20 0.35
CYP2D6 P10635 5/20 0.35
CLK4 Q9HAZ1 5/20 0.35
CYP3A4 P08684 5/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
UHRF1 Q96T88 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7905277 0.99 MEN1 (0.36) MEN1THRBAPEX1RECQLBLM
Ciaftalan SCHEMBL9792952 0.86 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL813548 0.86 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL2786994 0.85 MEN1 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL3423215 0.85 MEN1 (0.46) MEN1THRBAPEX1RECQLBLM
SCHEMBL8416215 0.84 CYP1A2 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL7896921 0.83 CYP1A2 (0.38) MEN1THRBAPEX1RECQLBLM
SCHEMBL3456400 0.81 MEN1 (0.35) MEN1THRBAPEX1RECQLBLM
Ciaftalan SCHEMBL3316411 0.81 MEN1 (0.49) MEN1THRBAPEX1RECQLBLM
SCHEMBL3421160 0.81 CYP1A2 (0.43) MEN1THRBAPEX1RECQLBLM

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-0554971-B1 CuPc Pigment composition ZENECA LTD (GB) 1999-08-25 EP claimed