SCHEMBL9564566

SCHEMBL9564566

NCC=COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
AOC3 Q16853 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
KCNN4 O15554 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 2/20 0.31
MAPK1 P28482 1/20 0.31
DUT P33316 1/20 0.31
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7514202 0.73 LMNA (0.37) KIF11KCNH2
SCHEMBL26131423 0.73 LMNA (0.37) KIF11KCNH2
SCHEMBL8996775 0.71 MAOB (0.42) KIF11SMN1; SMN2IDO1MAPK1CYP2C9
SCHEMBL7523023 0.71 LMNA (0.34) KIF11KCNN4
SCHEMBL7969598 0.68 AOC3 (0.55) AOC3TAAR1
SCHEMBL527141 0.68 AOC3 (0.55) AOC3TAAR1
SCHEMBL2350015 0.67 MAPK1 (0.42) KIF11TAAR1KCNN4MAPK1CYP3A4
SCHEMBL183490 0.67 KIF11 (0.40) KIF11KCNN4MAPK1
SCHEMBL25911720 0.67 KIF11 (0.40) KIF11KCNN4MAPK1
SCHEMBL10357812 0.67 KIF11 (0.40) KIF11KCNN4MAPK1CYP3A4CYP2C9

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
EP-0540742-A1 OLIGODEOXYRIBONUCLEOTIDES Shudo, Koichi, Prof. Dr. (JP) 1993-05-12 EP disclosed