SCHEMBL2763686

SCHEMBL2763686

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
TSHR P16473 2/20 0.65
RAB9A P51151 1/20 0.62
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
USP2 O75604 1/20 0.60
F2 P00734 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
BRD4 O60885 2/20 0.58
PDE5A O76074 2/20 0.54
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL2766185 0.89 HPGD (0.64) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL2764119 0.85 HPGD (0.59) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL2765033 0.82 HPGD (0.56) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL17107224 0.81 SMN1; SMN2 (0.71) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL2764501 0.81 HPGD (0.73) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL2764450 0.79 HPGD (1.00) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL17107149 0.77 USP2 (0.72) HPGDTSHRMAPTSMN1; SMN2KDM4E
SCHEMBL24595147 0.75 SMN1; SMN2 (0.51) TSHRRAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL17131991 0.75 HPGD (0.62) HPGDTSHRRAB9AMAPTSMN1; SMN2
SCHEMBL15503716 0.74 MAPT (1.00) HPGDTSHRMAPTSMN1; SMN2ALDH1A1

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