SCHEMBL4577847

SCHEMBL4577847

OCC1COC(c2ccccc2Br)=N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HTR2B P41595 1/20 0.37
MAPK1 P28482 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33

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
SCHEMBL4577849 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTPOLB
Nocazoline A SCHEMBL27972241 0.84 HTR2B (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
Nocazoline A SCHEMBL27972242 0.84 HTR2B (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
Nocazoline A SCHEMBL31429548 0.84 HTR2B (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
Nocazoline A SCHEMBL27972281 0.84 HTR2B (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
Nocazoline A SCHEMBL29591840 0.84 HTR2B (0.53) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL7803650 0.83 POLB (0.38) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL28685759 0.82 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL28694392 0.82 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL27866967 0.82 MAPT (0.66) NPC1RAB9ASMN1; SMN2MAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699784-A4 NOVEL OXAZOLIDINONE DERIVATIVES DONG A PHARM CO LTD (KR) 2008-09-03 EP disclosed
EP-1699784-A1 NOVEL OXAZOLIDINONE DERIVATIVES Dong-A Pharmaceutical Co., Ltd. (KR) 2006-09-13 EP disclosed
WO-2005058886-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2005-06-30 WO disclosed