SCHEMBL24523830

SCHEMBL24523830

N#Cc1ccc2c3cc(-c4cccc5c6ccccc6c6ccccc6c45)cc4c5ccc(C#N)cc5n(c2c1)c34

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BRD4 O60885 2/20 0.32
CREBBP Q92793 1/20 0.32
ADRA2C P18825 1/20 0.32
G6PD P11413 1/20 0.31
CYP19A1 P11511 1/20 0.30
PTGER4 P35408 1/20 0.30
ADORA2A P29274 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
SCHEMBL24523716 0.89 ENPP3 (0.35) ENPP3CA1CA2PTGDR2BRD4
SCHEMBL24523809 0.88 CA1 (0.42) ENPP3CA1CA2CYP19A1
SCHEMBL24523829 0.87 CA1 (0.43) ENPP3CA1CA2CYP19A1
SCHEMBL24523808 0.87 CA1 (0.42) ENPP3CA1CA2
SCHEMBL24523714 0.86 ENPP3 (0.33) ENPP3BRD4CREBBPG6PD
SCHEMBL24523765 0.85 PTGDR2 (0.40) ENPP3PTGDR2G6PDCYP19A1
SCHEMBL24523713 0.84 KDM4E (0.39) ENPP3PTGDR2G6PD
SCHEMBL24523805 0.83 ENPP3 (0.40) ENPP3CA1CA2G6PDPTGER4
SCHEMBL24523734 0.82 MEN1 (0.40) ENPP3PTGDR2ADRA2CCYP19A1ADORA2A
SCHEMBL24523831 0.81 ENPP3 (0.37) ENPP3CA1CA2G6PD

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