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SCHEMBL17033864

SCHEMBL17033864

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5c4ccc4cc6c7ccccc7c7ccccc7n6c45)n3)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ MCL1 Q07820 2/20 0.33
▸ AURKA O14965 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CHEK2 O96017 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL17033845 0.93 NPY5R (0.35) DHODHNPY5RMCL1AURKAIRAK4
SCHEMBL17033810 0.89 MAPT (0.33) DHODHNPY5RAURKATSHRMAPK1
SCHEMBL17033557 0.89 MAPT (0.33) TSHRMAPK1HSD17B10
SCHEMBL17033800 0.88 DHODH (0.38) DHODHNPY5RMCL1AURKAIRAK4
SCHEMBL17033655 0.87 DHODH (0.37) DHODHNPY5RMCL1AURKAIRAK4
SCHEMBL17033828 0.87 MAPK1 (0.39) TSHRMAPK1HSD17B10
SCHEMBL17033555 0.87 MCL1 (0.34) NPY5RMCL1IRAK4
SCHEMBL17033552 0.83 HTR1A (0.41) NPY5RMCL1IRAK4
SCHEMBL17033572 0.83 PTGES (0.30) —
SCHEMBL17033508 0.83 NPY5R (0.40) DHODHNPY5RMCL1AURKAIRAK4

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