SCHEMBL10034852

SCHEMBL10034852

NCCSC1=C(SCCN)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.60
MAOA P21397 3/20 0.56
MAPT P10636 7/20 0.55
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 5/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 4/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 3/20 0.55
ALOX15 P16050 3/20 0.55
MAOB P27338 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 6/20 0.49
RECQL P46063 6/20 0.49
MEN1 O00255 5/20 0.49
CYP3A4 P08684 4/20 0.49
CASP1 P29466 3/20 0.49

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
SCHEMBL10034769 0.79 P4HB (0.70) STAT3MAOAMAPTKMT2AKDM4E
Anthrarufin SCHEMBL29874705 0.74 MAOA (1.00) STAT3MAOAMAPTALDH1A1TDP1
Anthrarufin SCHEMBL29363946 0.74 MAOA (1.00) STAT3MAOAMAPTALDH1A1TDP1
Anthrarufin SCHEMBL187843 0.74 MAOA (1.00) STAT3MAOAMAPTALDH1A1TDP1
SCHEMBL10034767 0.73 MAOA (0.60) STAT3MAOAMAPTALDH1A1TDP1
Danthron SCHEMBL30544826 0.72 MAPT (1.00) STAT3MAOAMAPTALDH1A1TDP1
Anthrarufin SCHEMBL28196883 0.72 MAOA (0.95) STAT3MAOAMAPTALDH1A1TDP1
Danthron SCHEMBL29356886 0.72 MAPT (1.00) STAT3MAOAMAPTALDH1A1TDP1
Anthrarufin SCHEMBL28419741 0.72 MAOA (0.95) STAT3MAOAMAPTALDH1A1TDP1
Anthrarufin SCHEMBL27169537 0.72 MAOA (0.95) STAT3MAOAMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004543-A1 DEVICE FOR DETECTING MOLECULES OF INTEREST, ITS MANUFACTURING PROCESS AND ITS USE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-01-12 WO disclosed