SCHEMBL2766065

SCHEMBL2766065

COc1cc(-c2cc(CN3CCCN(Cc4cc(-c5cc(OC)c(OC)c(OC)c5)n(C)n4)CC3)nn2C)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.43
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SLC29A1 Q99808 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ABCC4 O15439 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN1A P35498 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
SCHEMBL2765235 0.96 TGFBR1 (0.45) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL2764396 0.85 KDM4E (0.49) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL2766860 0.82 SLC29A1 (0.50) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL2766026 0.81 KDM4E (0.45) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL2764186 0.78 FYN (0.40) KDM4ESMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL2765741 0.78 CA1 (0.40) KDM4ESMN1; SMN2CYP2D6CYP2C9TSHR
SCHEMBL2765957 0.78 CHRNB2 (0.47) KDM4ETGFBR1ACVR1MEN1KMT2A
SCHEMBL2763745 0.78 BCHE (0.49) POLBTGFBR1ACVR1MEN1KMT2A
SCHEMBL2765158 0.77 KDM4E (0.48) KDM4EPOLBTGFBR1ACVR1MEN1
SCHEMBL13030668 0.76 DRD4 (0.57) KDM4ELMNAHRH3TDP1

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