SCHEMBL17033832

SCHEMBL17033832

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PTGES O14684 1/20 0.30
MCL1 Q07820 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
SCHEMBL17033560 0.99 KDM4E (0.34) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL17033573 0.94 KDM4E (0.32) KDM4ETSHRHSD17B10
SCHEMBL16066755 0.88 KDM4E (0.31) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL17033559 0.88 MAPT (0.40) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL17033825 0.88 KDM4E (0.35) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033839 0.87 KDM5B (0.33) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL17033810 0.87 MAPT (0.33) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033651 0.87 HSD17B10 (0.34) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033801 0.86 KDM4E (0.36) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033569 0.86 PDE4A (0.36) KDM4ETSHRHSD17B10ALDH1A1MAPT

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