SCHEMBL20115879

SCHEMBL20115879

Cc1ccc2[nH]c3c(C#N)cccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.49
BCHE P06276 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL28051627 0.83 AR (0.70) ARMEN1KMT2ACLK1DYRK1A
SCHEMBL30355317 0.80 DYRK1A (0.54) ARMEN1NPC1POLBKMT2A
SCHEMBL9714208 0.80 DYRK1A (0.54) ARMEN1NPC1POLBKMT2A
SCHEMBL26442543 0.79 AR (0.47) ARBCHENPC1CLK1DYRK1A
SCHEMBL13267003 0.78 KIF11 (0.67) BCHEMEN1NPC1POLBKMT2A
SCHEMBL29726988 0.78 KIF11 (0.67) BCHEMEN1NPC1POLBKMT2A
SCHEMBL20115838 0.78 MEN1 (0.47) MEN1NPC1POLBKMT2ACLK1
SCHEMBL20115833 0.77 DYRK1A (0.47) ARCLK1DYRK1A
SCHEMBL29732438 0.77 DYRK1A (0.47) ARCLK1DYRK1A
SCHEMBL28641040 0.76 KDM4E (0.49) ARBCHEMEN1NPC1POLB

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-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed