SCHEMBL6203908

SCHEMBL6203908

O=C1c2ccccc2C(c2ccccc2Cl)C1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
S100A4 P26447 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 4/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35

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
SCHEMBL11545827 0.78 CYP1A2 (0.45) SMN1; SMN2KDM4EALDH1A1TNKS2S100A4
SCHEMBL15449470 0.71 MEN1 (0.46) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11811509 0.71 RAB9A (0.53) SMN1; SMN2KDM4EALDH1A1HPGDTSHR
SCHEMBL2130350 0.69 KMT2A (0.55) SMN1; SMN2KDM4EALDH1A1HSD17B10S100A4
SCHEMBL15251855 0.67 CYP19A1 (0.43) ALDH1A1S100A4GAATP53SLC6A3
SCHEMBL11099939 0.67 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDTSHR
SCHEMBL11779406 0.67 ACHE (0.36) ALDH1A1HSD17B10S100A4GAATP53
SCHEMBL11549835 0.67 S100A4 (0.54) SMN1; SMN2ALDH1A1TNKS2S100A4TP53
SCHEMBL7645697 0.66 S100A4 (0.73) SMN1; SMN2KDM4EALDH1A1HPGDTSHR
SCHEMBL8087837 0.63 MEN1 (0.52) SMN1; SMN2KDM4EALDH1A1S100A4RECQL

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