SCHEMBL17993480

SCHEMBL17993480

c1ccc2c(c1)nc1c3cccnc3n3c4ccccc4nc3c3cccnc3n21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
HSD17B10 Q99714 3/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 7/20 0.54
HPGD P15428 6/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ACHE P22303 1/20 0.46
NPC1 O15118 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
BCL2 P10415 1/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 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
SCHEMBL23948722 0.92 KDM4E (0.51) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL20821360 0.88 KDM4E (0.47) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL21298229 0.88 KDM4E (0.48) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL21297801 0.86 BCL2 (0.48) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL17993517 0.86 KDM4E (0.47) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL21283633 0.85 KDM4E (0.45) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL20561588 0.83 KDM4E (0.43) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL20561567 0.83 KDM4E (0.43) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL21917727 0.83 KDM4E (0.43) KDM4EMAPTLMNAHSD17B10TP53
SCHEMBL21298239 0.82 KDM4E (0.42) KDM4EMAPTLMNAHSD17B10TP53

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-3054498-B1 BISIMIDAZODIAZOCINES IDEMITSU KOSAN CO (JP) 2017-09-20 EP disclosed
WO-2016125110-A1 BISIMIDAZOLODIAZOCINES IDEMITSU KOSAN CO., LTD. (JP) 2016-08-11 WO disclosed
EP-3054498-A1 Bisimidazodiazocines Idemitsu Kosan Co., Ltd. (JP) 2016-08-10 EP disclosed