SCHEMBL4677795

SCHEMBL4677795

C=CCNC(=O)N1CCN(C(=O)SC(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL6990543 0.99 LMNA (0.44) LMNAALDH1A1HPGDKDM4EPOLB
SCHEMBL6987979 0.82 KDM4E (0.59) LMNAALDH1A1KDM4EPOLBKMT2A
Hydrochloric Acid SCHEMBL6990408 0.82 KMT2A (0.51) ALDH1A1KDM4EKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL6991722 0.81 KDM4E (0.58) LMNAALDH1A1KDM4EPOLBKMT2A
SCHEMBL4677423 0.80 KDM4E (0.56) ALDH1A1HPGDKDM4EPOLBKMT2A
Hydrochloric Acid SCHEMBL6988072 0.80 EPHX2 (0.42) LMNAKDM4EKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6993204 0.79 POLB (0.56) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL6987336 0.79 CNR1 (0.59) KDM4EPOLBKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6989767 0.78 CNR1 (0.58) KDM4EPOLBKMT2AMEN1GAA
SCHEMBL6991815 0.77 ALDH1A1 (0.52) LMNAALDH1A1HPGDKDM4EKMT2A

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-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed