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SCHEMBL17033596

SCHEMBL17033596

c1cncc(-c2cccc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.38
▸ PIM1 P11309 14/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL17033524 0.97 CYP2A6 (0.39) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL16066986 0.92 CYP11B1 (0.40) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL16066189 0.90 CYP11B1 (0.40) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL16066440 0.88 CYP2A6 (0.37) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL16067241 0.88 CYP2A6 (0.37) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL17033484 0.85 MKNK1 (0.37) MAPT
SCHEMBL17033455 0.85 MEN1 (0.37) —
SCHEMBL17033785 0.85 CYP2A6 (0.38) CYP2A6PIM1CYP11B1PIM3PIM2
SCHEMBL15073752 0.85 MAPT (0.42) CYP2A6PIM1PIM3PIM2CYP19A1
SCHEMBL15073883 0.85 MAPT (0.42) CYP2A6PIM1PIM3PIM2CYP19A1

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