SCHEMBL13865101

SCHEMBL13865101

C[C@H](NC(=O)COCCN(CCCl)CCCl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 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
SCHEMBL13865117 0.89 MAPT (0.52) MEN1KMT2APOLBLMNAMAPT
SCHEMBL13772497 0.78 MEN1 (0.54) MEN1KMT2APOLBLMNAMAPT
SCHEMBL4124643 0.75 POLB (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL13865134 0.75 KMT2A (0.51) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4124642 0.75 POLB (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL4127562 0.75 POLB (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL4127567 0.75 POLB (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL2394131 0.74 ACACB (0.50) MEN1KMT2APOLBLMNAMAPT
SCHEMBL5016632 0.73 TSHR (0.73) MEN1KMT2APOLBLMNAMAPT
SCHEMBL6398811 0.73 MAPT (0.69) MEN1KMT2APOLBMAPTALDH1A1

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
WO-2009057133-A2 A PROCESS FOR THE SYNTHESIS OF 2-[2-[4-[(4-CHLOROPHENYL)PHENYL METHYL]-1-PIPERAZINYL] ETHOXY ACETIC ACID GLENMARK GENERICS LIMITED (IN) 2009-05-07 WO disclosed