SCHEMBL17033475

SCHEMBL17033475

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c(cc54)cc4c5ccccc5c5ccccc5n64)c3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPY5R Q15761 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL17033470 0.94 KDM4E (0.36) KDM4ETSHRHSD17B10NPY5RCYP19A1
SCHEMBL16066169 0.93 KDM4E (0.32) KDM4ETSHRHSD17B10CYP19A1
SCHEMBL17033499 0.93 KDM4E (0.36) KDM4ETSHRHSD17B10NPY5RCYP19A1
SCHEMBL16066427 0.91 KDM4E (0.33) KDM4ETSHRHSD17B10
SCHEMBL16067244 0.91 KDM4E (0.33) KDM4ETSHRHSD17B10
SCHEMBL17033510 0.90 KDM4E (0.35) KDM4ETSHRHSD17B10
SCHEMBL16067027 0.90 KDM4E (0.32) KDM4ETSHRHSD17B10
SCHEMBL17033411 0.90 HSD17B10 (0.38) KDM4ETSHRHSD17B10NPY5RCYP19A1
SCHEMBL17033818 0.88 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL16066212 0.87 KDM4E (0.34) KDM4ETSHRHSD17B10CYP19A1

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