SCHEMBL6130278

SCHEMBL6130278

O=C(O)c1ccc(CC=NNC(=S)Nc2cccc3ccccc23)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MCL1 Q07820 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5364134 0.83 MAPT (0.53) HSD17B10PTPN1MEN1KMT2ANPC1
SCHEMBL5364129 0.83 MAPT (0.53) HSD17B10PTPN1MEN1KMT2ANPC1
SCHEMBL5368826 0.76 HSD17B10 (0.53) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL5368828 0.76 HSD17B10 (0.53) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL5362944 0.70 PTPN1 (0.56) PTPN1MEN1KMT2ANPC1MAPT
SCHEMBL5362936 0.70 PTPN1 (0.56) PTPN1MEN1KMT2ANPC1MAPT
SCHEMBL5364167 0.68 MAPT (0.71) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL5364159 0.68 MAPT (0.71) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL5362621 0.68 MAPT (0.61) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5362626 0.68 MAPT (0.61) MEN1KMT2ANPC1RAB9APOLB

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-1349613-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2005-09-21 EP claimed
EP-1349613-A2 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-10-08 EP claimed
WO-2002049413-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO claimed