SCHEMBL15095670

SCHEMBL15095670

N#CC(C#N)=C1c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(C(F)(F)F)cc1C3=C(C#N)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
PDK2 Q15119 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12117729 1.00 KIF11 (0.44) KIF11PDK2MAPTSMN1; SMN2MEN1
SCHEMBL15095643 0.91 KIF11 (0.41) KIF11PDK2MAPTSMN1; SMN2MEN1
SCHEMBL12149405 0.90 KIF11 (0.45) KIF11PDK2MAPTMEN1KMT2A
SCHEMBL13374656 0.90 KIF11 (0.45) KIF11PDK2MAPTMEN1KMT2A
SCHEMBL12118000 0.89 CTSS (0.42) KIF11PDK2MAPTALDH1A1GAA
SCHEMBL12198263 0.89 CTSS (0.42) KIF11PDK2MAPTALDH1A1GAA
SCHEMBL10074371 0.87 KIF11 (0.47) KIF11PDK2MAPTMEN1KMT2A
SCHEMBL15779897 0.87 MAPT (0.45) KIF11MAPTSMN1; SMN2MEN1HTT
SCHEMBL12117589 0.87 MAPT (0.49) PDK2MAPTSMN1; SMN2MEN1APAF1
SCHEMBL10075602 0.86 CTSS (0.43) KIF11PDK2MAPTALDH1A1GAA

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-8481177-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2013-07-09 US disclosed