SCHEMBL6205182

SCHEMBL6205182

CCCS(=O)(=O)c1ccc2c(c1)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.45
PBRM1 Q86U86 1/20 0.45
BRD4 O60885 3/20 0.39
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MLNR O43193 1/20 0.36
PTGS2 P35354 1/20 0.36
HSD17B1 P14061 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1003926 0.78 PBRM1 (0.52) PNMTPBRM1BRD4PTGS2
SCHEMBL12749953 0.76 CA12 (0.56) PNMTHTR2CHTR2BMLNRSMN1; SMN2
SCHEMBL4243389 0.75 CA1 (0.55) PNMTPBRM1
SCHEMBL6205829 0.75 PBRM1 (0.52) PBRM1BRD4HRH3PTGS2HSD17B1
SCHEMBL6206273 0.74 PNMT (0.47) PNMTBRD4CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL28058141 0.73 PBRM1 (0.55) PBRM1BRD4HRH3HSD17B1
SCHEMBL8870208 0.71 PBRM1 (0.47) PNMTPBRM1BRD4HRH3PTGS2
SCHEMBL3839761 0.71 PBRM1 (0.47) PBRM1BRD4HRH3MLNR
SCHEMBL8688671 0.70 PBRM1 (0.50) PBRM1BRD4HTR2CHTR2BHRH3
SCHEMBL1512782 0.69 PBRM1 (0.53) PBRM1BRD4HTR2CHTR2BCYP2C19

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