SCHEMBL6208319

SCHEMBL6208319

CC(=O)Nc1ccc2c(c1)C(=O)C(Br)CCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAOA P21397 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL12316616 0.77 CYP1A2 (0.63) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL7997248 0.76 CYP19A1 (0.50) NPSR1NPC1RAB9A
SCHEMBL989276 0.75 CYP19A1 (0.51) MAPTLMNAMEN1KMT2A
SCHEMBL10908114 0.75 BAZ2B (0.58) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL6207360 0.75 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL8107665 0.74 CYP1A2 (0.58) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL1484854 0.74 FABP6 (0.51) MAPTALDH1A1KDM4E
SCHEMBL5861384 0.73 CYP1A2 (1.00) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL5582783 0.71 CYP1A2 (0.63) CYP1A2CYP2C19NPSR1MAPTALDH1A1
SCHEMBL30334729 0.71 CYP1A2 (0.63) CYP1A2CYP2C19NPSR1MAPTALDH1A1

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