SCHEMBL9408477

SCHEMBL9408477

CCN(CC)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(CC)CC)cc2)cc1.CCN(CC)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CNR2 P34972 2/20 0.49
ESRRG P62508 1/20 0.49
HSD11B1 P28845 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NOX1 Q9Y5S8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 5/20 0.46
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL141631 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8579335 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL7884419 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL124701 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL7884421 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8579332 1.00 TDP1 (0.51) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8581945 0.95 TDP1 (0.48) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8581948 0.95 TDP1 (0.48) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8154124 0.93 CNR2 (0.47) TDP1HDAC6CNR2ESRRGHSD11B1
SCHEMBL8154122 0.93 CNR2 (0.47) TDP1HDAC6CNR2ESRRGHSD11B1

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-0614131-A2 Image forming apparatus MITA INDUSTRIAL CO., LTD. (JP) 1994-09-07 EP disclosed