SCHEMBL2764253

SCHEMBL2764253

COc1cc(-c2nc(CCl)co2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 10/20 0.50
HPGD P15428 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
PTPN11 Q06124 1/20 0.42
HSD17B10 Q99714 5/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2764515 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL4271339 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5762224 0.81 PTPN11 (0.44) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2766091 0.80 DRD2 (0.52) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL4279483 0.78 SMN1; SMN2 (0.56) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2764403 0.77 DRD2 (0.49) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL4277755 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5761885 0.76 PTPN11 (0.47) SMN1; SMN2GAAPTPN11NPC1HTT
SCHEMBL4271678 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL38656222 0.75 CHEK1 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2LMNA

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