SCHEMBL11226521

SCHEMBL11226521

CN(C(=O)c1cc(Br)cc(Br)c1N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MAOB P27338 2/20 0.47
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.42
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 2/20 0.39
KDM1A O60341 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.38
HSPE1 P61604 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
SCHEMBL27625290 0.82 POLB (0.55) POLBMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL27951186 0.81 MAPT (0.58) POLBMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL639796 0.78 AKR1C4 (0.39) POLBMAOBALDH1A1KDM4EKMT2A
SCHEMBL2763341 0.78 POLB (0.50) POLBMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL3457031 0.76 POLB (0.64) POLBMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL10691843 0.73 MAPT (0.65) POLBALDH1A1KMT2ALMNAHTT
SCHEMBL9001638 0.73 POLB (0.75) POLBMAOBL3MBTL1KDM4EKMT2A
SCHEMBL5260327 0.73 POLB (0.64) POLBMAOBALDH1A1KDM4EKMT2A
SCHEMBL27574758 0.72 MAPT (0.50) POLBKDM4EMAPTHSPD1HSPE1
SCHEMBL10696103 0.72 LMNA (0.49) MAOBALDH1A1L3MBTL1LMNAMAOA

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
US-4363766-A Process for the preparation of sulfur-containing N-benzyl-amino acids and esters BOEHRINGER INGELHEIM GMBH (DE) 1982-12-14 US disclosed