SCHEMBL2763829

SCHEMBL2763829

COc1cc(-c2cc(CO)no2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL2765509 0.84 CYP3A4 (0.45) MAPTSMN1; SMN2CYP3A4CYP2C19KDM4E
SCHEMBL2765382 0.81 TP53 (0.49) MAPTSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL31128642 0.80 NOTUM (0.50) NOTUMMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL31128488 0.80 NOTUM (0.56) NOTUMMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL31128603 0.78 NOTUM (0.43) NOTUMMAPTSMN1; SMN2CHEK1AURKA
SCHEMBL31128525 0.78 NOTUM (0.43) NOTUMMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2767252 0.77 KDM4E (0.49) SMN1; SMN2CYP3A4CYP2C19KDM4EHSD17B10
SCHEMBL13362367 0.77 PTGS2 (0.56) MAPTSMN1; SMN2CYP3A4CYP2C19KDM4E
SCHEMBL31128567 0.76 NOTUM (0.49) NOTUMMAPTKDM4EHPGDCHEK1
SCHEMBL8196656 0.76 NOTUM (0.64) NOTUMMAPTSMN1; SMN2ALDH1A1HPGD

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