SCHEMBL2764396

SCHEMBL2764396

COCn1nc(CN2CCCN(Cc3cc(-c4cc(OC)c(OC)c(OC)c4)n(COC)n3)CC2)cc1-c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
SLC29A1 Q99808 3/20 0.39
LMNA P02545 3/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC4 O15439 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL2766026 0.96 KDM4E (0.45) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2766065 0.85 KDM4E (0.48) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2766860 0.85 SLC29A1 (0.50) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2765235 0.81 TGFBR1 (0.45) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2763745 0.81 BCHE (0.49) POLBMEN1KMT2ATGFBR1ACVR1
SCHEMBL2765957 0.80 CHRNB2 (0.47) KDM4EMEN1KMT2AALDH1A1TGFBR1
SCHEMBL2766939 0.79 FYN (0.38) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL2765291 0.79 CA1 (0.38) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL2767259 0.76 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1TGFBR1
SCHEMBL2767252 0.73 KDM4E (0.49) KDM4EPOLBMEN1KMT2AALDH1A1

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