SCHEMBL17993471

SCHEMBL17993471

c1ccc2cc3c(cc2c1)c1nc2ccccc2n1c1cc2ccccc2nc1c1nc2ccccc2n31

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.44
MAPT P10636 6/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 8/20 0.43
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
HCRTR1 O43613 1/20 0.37

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
SCHEMBL17965501 0.91 KDM4E (0.44) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL19959759 0.83 KDM4E (0.50) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL20427381 0.82 KDM4E (0.50) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL12719696 0.81 KDM4E (0.53) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL21298053 0.81 KDM4E (0.49) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL21298050 0.81 KDM4E (0.51) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL21298047 0.80 MAPT (0.43) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL21298049 0.80 KDM4E (0.42) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL10023638 0.78 KDM4E (0.42) KDM4EMAPTHSD17B10POLBLMNA
SCHEMBL14644245 0.78 KDM4E (0.46) KDM4EMAPTHSD17B10POLBLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054498-A1 Bisimidazodiazocines Idemitsu Kosan Co., Ltd. (JP) 2016-08-10 EP disclosed