SCHEMBL6279044

SCHEMBL6279044

O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA2 O43464 2/20 0.71
INSR P06213 1/20 0.59
IGF1R P08069 1/20 0.59
PTPN12 Q05209 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58
MAPT P10636 5/20 0.57
MAPK1 P28482 3/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CDK2 P24941 1/20 0.57
BRAF P15056 1/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 4/20 0.54
MEN1 O00255 3/20 0.54

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
SCHEMBL3897920 1.00 HTRA2 (0.71) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3897914 1.00 HTRA2 (0.71) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3892423 0.92 HTRA2 (0.61) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3892418 0.92 HTRA2 (0.61) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL7168872 0.92 PTPN12 (0.72) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL6784929 0.92 PTPN12 (0.72) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL8175997 0.90 MAP3K5 (0.66) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3900015 0.87 HTRA2 (0.55) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3900012 0.87 HTRA2 (0.55) HTRA2INSRIGF1RPTPN12PTPN22
SCHEMBL3896729 0.86 MAPT (0.60) HTRA2INSRIGF1RPTPN12PTPN22

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-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed