SCHEMBL17033776

SCHEMBL17033776

c1ccc2cc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
BACE1 P56817 5/20 0.33
GAA P10253 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
MAPK10 P53779 2/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL17033732 0.93 HPRT1 (0.38) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL17033758 0.87 HSD17B1 (0.38) KDM4EATML3MBTL1GAACYP19A1
SCHEMBL17033657 0.86 KDM4E (0.35) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL13828805 0.85 KDM4E (0.41) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL10027551 0.85 KDM4E (0.44) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL17033761 0.84 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1POLB
SCHEMBL15073675 0.84 KDM4E (0.53) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL20825820 0.84 KDM4E (0.42) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL17033806 0.83 KDM4E (0.39) PMM2MPIPHOSPHO1KDM4EATM
SCHEMBL19769472 0.82 KDM4E (0.50) PMM2MPIPHOSPHO1KDM4EATM

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed