SCHEMBL6046336

SCHEMBL6046336

O=C(Cl)c1n[nH]c(=S)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 6/20 0.41
NCOA2 Q15596 6/20 0.41
NCOA1 Q15788 6/20 0.41
RXFP1 Q9HBX9 5/20 0.41
NCOA3 Q9Y6Q9 5/20 0.41
NPSR1 Q6W5P4 3/20 0.36
ALPG P10696 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.34
KDM3B Q7LBC6 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
BRPF1 P55201 1/20 0.31

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
SCHEMBL11324161 0.83 GAA (0.36) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11633136 0.81 ALDH1A1 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL17281433 0.79 MAPT (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5269625 0.71 POLB (0.54) ALDH1A1GAAMAPTKMT2APPARG
SCHEMBL17272789 0.64 MAPT (0.61) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28136550 0.62 NSD2 (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL829306 0.62 CYP2D6 (0.43) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5791378 0.62 ALDH1A1 (1.00) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31162505 0.61 HCAR2 (0.50) GAAKDM4EL3MBTL1HCAR2
SCHEMBL11324784 0.61 GAA (0.36) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO claimed
WO-2006124003-A1 COMPOSITE MALDI MATRIX MATERIAL AND METHODS OF USING IT AND KITS THEREOF IN MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-23 WO disclosed
US-20060261267-A1 Composite MALDI matrix material and methods of using it and kits thereof in MALDI AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-11-23 US disclosed
US-4081441-A PENICILLANIC ACIDS BRISTOL-MYERS COMPANY (US) 1978-03-28 US disclosed