SCHEMBL5804170

SCHEMBL5804170

O=C(C[S])c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.67
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 4/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GMNN O75496 2/20 0.57
MAPK1 P28482 2/20 0.57
BLM P54132 2/20 0.57
PMP22 Q01453 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CMKLR1 Q99788 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL29457006 0.83 PTPN1 (0.71) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5857951 0.83 PTPN1 (0.71) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL30375866 0.82 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL11713079 0.82 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1448941 0.82 PTPN1 (0.69) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7435452 0.80 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL2124452 0.80 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1267253 0.80 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5804173 0.80 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5130621 0.80 PTPN1 (0.67) PTPN1NR4A1NR4A2NR4A3ALDH1A1

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed