SCHEMBL4729599

SCHEMBL4729599

Cc1c(NC2CCN(c3ncccn3)CC2)ccc(Br)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCD O00767 1/20 0.41
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
SMO Q99835 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL4730349 0.79 SLC6A7 (0.43) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4732131 0.78 ALDH1A1 (0.46) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4732132 0.78 KMT2A (0.43) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4732421 0.78 KMT2A (0.43) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4731971 0.78 MEN1 (0.47) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL5096292 0.75 ALDH1A1 (0.47) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4729979 0.75 MALT1 (0.48) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4731869 0.74 CNR1 (0.49) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4732463 0.73 MEN1 (0.46) KMT2AMEN1CNR1CNR2KDM4E
SCHEMBL4731689 0.72 KDM4E (0.48) KMT2AMEN1CNR1CNR2KDM4E

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-2008058064-A1 AMINE-LINKED MULTICYCLIC COMPOUNDS AS INHIBITORS OF THE PROLINE TRANSPORTER LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed