SCHEMBL2764871

SCHEMBL2764871

COc1cc(-c2nc(CCCO)cs2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HDAC1 Q13547 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HDAC3 O15379 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
EGFR P00533 1/20 0.39
TP53 P04637 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
SCHEMBL2764078 0.92 MAPT (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2763969 0.86 ALDH1A1 (0.52) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2766897 0.83 MAPT (0.46) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2765153 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2765386 0.80 SLC29A1 (0.46) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2764643 0.80 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2765833 0.80 MAPT (0.47) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2763747 0.78 MAPT (0.51) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2764406 0.77 KDM4E (0.60) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL2765063 0.77 MAPT (0.45) MAPTKDM4EALDH1A1HPGDGAA

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-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP 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