SCHEMBL24523784

SCHEMBL24523784

N#Cc1ccc2c3cc4c5cccc6cccc(oc4c4c7ccc(C#N)cc7n(c2c1)c34)c65

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SLC6A4 P31645 3/20 0.32
TNKS O95271 1/20 0.30
CDY1; CDY1B Q9Y6F8 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
SCHEMBL24523825 0.90 TNKS (0.37) ENPP3CA1CA2TNKSCDY1; CDY1B
SCHEMBL24523828 0.86 CDY1; CDY1B (0.36) ENPP3CA1CA2CDY1; CDY1B
SCHEMBL24523720 0.85 CA1 (0.39) ENPP3CA1CA2CDY1; CDY1B
SCHEMBL24523806 0.85 ENPP3 (0.32) ENPP3
SCHEMBL24523871 0.85 ENPP3 (0.36) ENPP3CA1CA2SLC6A4TNKS
SCHEMBL24523792 0.84 IDO1 (0.31)
SCHEMBL24523833 0.83 TNKS (0.39) TNKS
SCHEMBL24524318 0.82 KMO (0.30)
SCHEMBL24523718 0.80 ACLY (0.34) ENPP3TNKS
SCHEMBL24523767 0.78 CA1 (0.46) ENPP3CA1CA2

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