SCHEMBL4562228

SCHEMBL4562228

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CBr)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MMP9 P14780 2/20 0.43
PLAUR Q03405 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CTSL P07711 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL4562229 1.00 HPGD (0.45) HPGDLMNAKDM1AMAOAMEN1
SCHEMBL30595262 1.00 HPGD (0.45) HPGDLMNAKDM1AMAOAMEN1
SCHEMBL16670679 0.90 HPGD (0.47) HPGDLMNAKDM1AMAOAMEN1
SCHEMBL16682036 0.88 MAPT (0.49) HPGDLMNAKDM1AMAOAMEN1
SCHEMBL14556097 0.88 HPGD (0.43) HPGDLMNAKDM1AMAOAMEN1
SCHEMBL16682076 0.84 MMP9 (0.46) HPGDLMNAMEN1KMT2ATAS1R3
SCHEMBL18041078 0.84 SMN1; SMN2 (0.44) HPGDLMNAKDM1AMAOAKMT2A
SCHEMBL29679318 0.84 ACE (0.50) LMNAKDM1AMAOACTSLALDH1A1
SCHEMBL10204542 0.84 ACE (0.50) LMNAKDM1AMAOACTSLALDH1A1
SCHEMBL27010613 0.84 ACE (0.50) LMNAKDM1AMAOACTSLALDH1A1

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-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed