SCHEMBL6204548

SCHEMBL6204548

O=C1c2cc([N+](=O)[O-])ccc2OCCC1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.42
PTPRC P08575 3/20 0.41
S100A4 P26447 2/20 0.41
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL989276 0.78 CYP19A1 (0.51) MEN1KMT2AAPPPIK3CDPIK3CA
SCHEMBL1484854 0.77 FABP6 (0.51) ALDH1A1MAPTACHE
SCHEMBL7997248 0.77 CYP19A1 (0.50) NPC1RAB9APIK3CAPIK3CBPIK3CG
SCHEMBL1811557 0.75 PTPRC (0.45) RAB9AMEN1KMT2AALDH1A1PTPRC
SCHEMBL20500978 0.75 PTPRC (0.45) RAB9AMEN1KMT2AALDH1A1PTPRC
SCHEMBL2062631 0.75 MEN1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9585709 0.74 HTR1A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9585715 0.74 HTR1A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9585706 0.74 HTR1A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1097849 0.72 TDP2 (0.46) RAB9AMEN1KMT2AALDH1A1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed