SCHEMBL16601985

SCHEMBL16601985

COC(=O)c1cccc(-c2ccc3c(=O)c(=C(C#N)C#N)c4ccc(C)c2c34)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.45
▸ ASH1L Q9NR48 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ NEK1 Q96PY6 3/20 0.38
▸ PLAU P00749 2/20 0.37
▸ NR1H2 P55055 2/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL30760378 0.72 ASH1L (0.54) ASH1LPDK2AXLNEK1PLAU
SCHEMBL16749656 0.67 CA12 (0.58) ASH1LPDK2AXLNEK1PLAU
SCHEMBL30571550 0.67 IL2 (0.49) ASH1LPDK2AXLNEK1PLAU
SCHEMBL26120622 0.67 IL2 (0.49) ASH1LPDK2AXLNEK1PLAU
SCHEMBL7830361 0.67 NR1H4 (0.57) ASH1LPDK2AXLNEK1ERN1
SCHEMBL29279029 0.67 ERN1 (0.51) ASH1LPDK2AXLNEK1PLAU
SCHEMBL67941 0.66 CA12 (0.68) PDK2PLAUERN1CA12CA1
SCHEMBL12777036 0.65 CA12 (0.60) PDK2NEK1PLAUERN1CA12
SCHEMBL30350436 0.65 CA12 (0.60) PDK2NEK1PLAUERN1CA12
SCHEMBL7823524 0.65 RAB9A (0.48) ASH1LPDK2AXLNEK1PLAU

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
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 — — US disclosed
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