SCHEMBL4784119

SCHEMBL4784119

C=CCC1=CC(=O)C(=S)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
PTPRC P08575 1/20 0.37
PARK7 Q99497 1/20 0.37
TOP2A P11388 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CASP3 P42574 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KMT2A Q03164 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MITF O75030 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1140705 0.75 MEN1 (0.47) PTPN1PTPRCPARK7ALDH1A1CASP3
Phosphine SCHEMBL14764881 0.74 MEN1 (0.46) PTPN1PTPRCPARK7ALDH1A1CASP3
SCHEMBL4848431 0.70 PTPN1 (0.69) PTPN1PARK7ALDH1A1CNR1PPARG
SCHEMBL3807551 0.70 STAT3 (0.33) TOP2A
SCHEMBL2860815 0.70 GABRA1 (0.39) PTPRCTOP2AALDH1A1CASP3GABRA1
SCHEMBL9791396 0.68 MEN1 (0.36) TOP2AALDH1A1GABRA1GABRB2KMT2A
SCHEMBL11218822 0.68 MAPT (0.54) TOP2AALDH1A1GABRA1GABRB2KMT2A
SCHEMBL15732904 0.66 SOAT1 (0.43) PTPN1ALDH1A1KMT2ANSD2LMNA
SCHEMBL4785447 0.63 MAPT (0.40) TOP2AALDH1A1CASP3GABRA1GABRB2
SCHEMBL10747842 0.63

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