SCHEMBL2764501

SCHEMBL2764501

COc1cc(C(=O)Nc2nc(C(=O)O)cs2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.73
TSHR P16473 3/20 0.73
HSD17B10 Q99714 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ALOX15 P16050 2/20 0.61
USP2 O75604 2/20 0.61
F2 P00734 1/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
BRD4 O60885 2/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2764450 0.84 HPGD (1.00) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL17107224 0.82 SMN1; SMN2 (0.71) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL2763686 0.81 HPGD (0.65) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL17107149 0.81 USP2 (0.72) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL6970367 0.81 L3MBTL1 (0.55) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL2766185 0.80 HPGD (0.64) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL27923650 0.79 ACHE (0.64) HPGDTSHRHSD17B10SMN1; SMN2MAPT
Fumaric Acid SCHEMBL6963773 0.78 HPGD (0.58) HPGDTSHRHSD17B10SMN1; SMN2MAPT
Fumaric Acid SCHEMBL6963761 0.78 HPGD (0.58) HPGDTSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL24222515 0.78 HPGD (0.57) HPGDTSHRHSD17B10SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
CN-100491355-C Cyclic diamine compound having five-membered cyclic group KOWA CO (JP) 2009-05-27 CN disclosed
CN-1522250-A Cyclic diamine compound having five-membered cyclic group ������������ʽ���� 2004-08-18 CN disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed