SCHEMBL2764643

SCHEMBL2764643

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
ALDH1A1 P00352 9/20 0.70
TDP1 Q9NUW8 5/20 0.70
RAB9A P51151 3/20 0.58
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
GFER P55789 2/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GAA P10253 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2763969 0.85 ALDH1A1 (0.52) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL6194691 0.84 KDM4E (0.97) KDM4EALDH1A1TDP1RAB9AMAPT
Hydrochloric Acid SCHEMBL27195564 0.82 KDM4E (1.00) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL2764078 0.82 MAPT (0.53) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL3373976 0.81 KDM4E (0.72) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL2766572 0.81 HTR7 (0.61) KDM4EALDH1A1TDP1GAAHPGD
SCHEMBL2764871 0.80 MAPT (0.51) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL2764406 0.79 KDM4E (0.60) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL2765833 0.79 MAPT (0.47) KDM4EALDH1A1TDP1MAPTLMNA
SCHEMBL2765186 0.78 HTR7 (0.57) KDM4EALDH1A1TDP1HTR7

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