SCHEMBL17993422

SCHEMBL17993422

Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
NOD2 Q9HC29 1/20 0.39
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
FLT3 P36888 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 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
SCHEMBL19486165 0.91 L3MBTL1 (0.41) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL12801036 0.91 KDM4E (0.47) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL15631628 0.91 LCK (0.43) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL25877487 0.91 KDM4E (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL18083415 0.90 KDM4E (0.43) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL16920086 0.89 KDM4E (0.45) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL17032362 0.89 GPR3 (0.40) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL21346769 0.89 KDM4E (0.40) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL12801035 0.89 KDM4E (0.42) L3MBTL1POLBHPGDALDH1A1MAPT
SCHEMBL17850696 0.88 KMT2A (0.34) L3MBTL1POLBHPGDALDH1A1MAPT

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