SCHEMBL24523722

SCHEMBL24523722

N#Cc1ccc2c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc4c5ccc(C#N)cc5n(c2c1)c34

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP3 O14638 1/20 0.38
FASN P49327 1/20 0.37
CYP19A1 P11511 3/20 0.37
G6PD P11413 1/20 0.37
DPP4 P27487 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL24523719 0.98 MEN1 (0.39) MEN1KMT2AENPP3FASNCYP19A1
SCHEMBL24523804 0.97 GABRA1 (0.39) MEN1KMT2AENPP3FASNCYP19A1
SCHEMBL24523724 0.97 GABRA1 (0.39) MEN1KMT2AENPP3FASNCYP19A1
SCHEMBL24523831 0.91 ENPP3 (0.37) MEN1KMT2AENPP3G6PD
SCHEMBL24523765 0.88 PTGDR2 (0.40) MEN1KMT2AENPP3FASNCYP19A1
SCHEMBL24523805 0.87 ENPP3 (0.40) MEN1KMT2AENPP3G6PD
SCHEMBL24523791 0.86 ABCG2 (0.44) MEN1KMT2AENPP3
SCHEMBL24523734 0.85 MEN1 (0.40) MEN1KMT2AENPP3FASNCYP19A1
SCHEMBL24524219 0.84 ENPP3 (0.35) MEN1KMT2AENPP3G6PDGABRA1
SCHEMBL24523779 0.84 ABCG2 (0.45) MEN1KMT2AGABRA1GABRG2GABRB3

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
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed