SCHEMBL4784115

SCHEMBL4784115

C=CCSC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.50
SOAT1 P35610 11/20 0.46
S100A4 P26447 5/20 0.46
MAP2K7 O14733 2/20 0.43
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NSD2 O96028 2/20 0.42
HKDC1 Q2TB90 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 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
SCHEMBL4657692 0.75 CDC25B (0.56) PTPRCSOAT1S100A4MAP2K7CDC25A
SCHEMBL4629512 0.75 S100A4 (0.76) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL10917197 0.71 SOAT1 (0.66) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL4848419 0.71 SOAT1 (0.78) PTPRCSOAT1S100A4MAP2K7CDC25A
SCHEMBL17445488 0.71 CDC25B (0.78) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL17445487 0.69 SOAT1 (0.51) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL1823503 0.69 ALDH1A1 (0.60) PTPRCS100A4MAP2K7CDC25ACDC25B
SCHEMBL6233595 0.67 PTPRC (1.00) PTPRCCDC25ACDC25BKDM4EALDH1A1
SCHEMBL11666449 0.66 ALDH1A1 (0.32) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL4036050 0.66 CASP3 (0.41) PTPRCS100A4MAP2K7CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008136642-A1 NAPHTHOQUINONE-BASED PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MAZENCE INC. (KR) 2008-11-13 WO disclosed
WO-2008066300-A1 NAPHTHOQUINONE-BASED PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MAZENCE INC. (KR) 2008-06-05 WO disclosed