SCHEMBL6850835

SCHEMBL6850835

O=C1NC(=O)C(=Cc2cccc(-c3cccc([N+](=O)[O-])c3)c2O)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CASP3 P42574 1/20 0.60
BLM P54132 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TDP2 O95551 2/20 0.54
CASP7 P55210 1/20 0.54
CASP9 P55211 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50

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
SCHEMBL6850832 1.00 IGF1R (0.61) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL4333700 0.78 PIK3CA (0.63) IGF1RMEN1KMT2ATDP2CASP7
SCHEMBL4333702 0.78 PIK3CA (0.63) IGF1RMEN1KMT2ATDP2CASP7
SCHEMBL1250598 0.76 IGF1R (1.00) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL13846818 0.76 IGF1R (1.00) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL1250596 0.76 IGF1R (1.00) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL5734991 0.76 ERN1 (0.54) MEN1KMT2ATDP2GAAALDH1A1
SCHEMBL5146476 0.75 MEN1 (1.00) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL5146470 0.75 MEN1 (1.00) IGF1RMEN1KMT2ACASP3BLM
SCHEMBL3938888 0.71 TDP2 (1.00) IGF1RMEN1KMT2ATDP2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed