SCHEMBL4729979

SCHEMBL4729979

Clc1cc(NC2CCN(c3ncccn3)CC2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
LMNA P02545 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4733366 0.85 MALT1 (0.46) MALT1MEN1KMT2ACNR1CNR2
SCHEMBL5096292 0.85 ALDH1A1 (0.47) MEN1KMT2ACNR1CNR2LMNA
SCHEMBL4728680 0.81 GRM4 (0.46) MALT1MEN1KMT2AMAPK1DRD2
SCHEMBL4731982 0.81 SCD (0.50) MALT1MEN1KMT2ALMNAHTT
SCHEMBL4732425 0.81 FPR2 (0.49) MEN1KMT2ACNR1CNR2LMNA
SCHEMBL5102669 0.79 MALT1 (0.46) MALT1MEN1KMT2ACNR1CNR2
SCHEMBL4729025 0.78 MALT1 (0.50) MALT1MEN1KMT2ACNR1CNR2
SCHEMBL4731971 0.77 MEN1 (0.47) MALT1MEN1KMT2ACNR1CNR2
SCHEMBL14175664 0.75 SLC6A7 (0.58) MALT1MEN1KMT2ACNR1CNR2
SCHEMBL4729599 0.75 KMT2A (0.43) MEN1KMT2ACNR1CNR2LMNA

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