SCHEMBL19913307

SCHEMBL19913307

Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cc(-c4cc(C)nc(C)c4)cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c3C#N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KIF11 P52732 3/20 0.35
MAT2A P31153 5/20 0.34
METAP2 P50579 1/20 0.33
GRM5 P41594 3/20 0.33
CYP11B2 P19099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL22170314 0.95 KIF11 (0.38) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19913303 0.95 KIF11 (0.42) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19909195 0.90 KIF11 (0.45) POLBKIF11MAT2AMETAP2GRM5
SCHEMBL19909130 0.89 AURKA (0.34) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19913184 0.88 KIF11 (0.38) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19912525 0.88 KIF11 (0.36) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL22563511 0.86 KIF11 (0.36) POLBSMN1; SMN2KIF11MAT2AGRM5
SCHEMBL19903646 0.86 POLB (0.36) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19909231 0.85 METAP2 (0.40) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19913301 0.85 ALDH1A1 (0.38) LMNAHTTSMN1; SMN2KIF11METAP2

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-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed