SCHEMBL17993457

SCHEMBL17993457

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1c3ccccc3n3c4ccc(-n5c6ccccc6c6ccccc65)cc4nc3c3ccccc3n21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 6/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RAB9A P51151 2/20 0.35
BCL2 P10415 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL10023784 0.95 KDM4E (0.43) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL20821423 0.92 KDM4E (0.46) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL17993484 0.91 KDM4E (0.49) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023330 0.88 KDM4E (0.47) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL20821408 0.88 KDM4E (0.45) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023443 0.87 KDM4E (0.46) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023092 0.87 KDM4E (0.46) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023072 0.86 KDM4E (0.48) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023708 0.86 KDM4E (0.48) KDM4EL3MBTL1ATMMAPTTP53
SCHEMBL10023830 0.86 KDM4E (0.41) KDM4EL3MBTL1ATMMAPTTP53

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