SCHEMBL24523883

SCHEMBL24523883

N#Cc1ccc2c3cc4oc5ccccc5c4c4c5ccc(C#N)cc5n(c2c1)c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
ENPP3 O14638 1/20 0.36
CDY1; CDY1B Q9Y6F8 2/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CYP19A1 P11511 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AHR P35869 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL24523836 0.91 TNKS (0.40) TNKSL3MBTL1RAB9AMEN1KMT2A
SCHEMBL24524316 0.90 KMO (0.33) ENPP3KMO
SCHEMBL24523871 0.89 ENPP3 (0.36) TNKSENPP3CDY1; CDY1BCA1CA2
SCHEMBL24523874 0.88 TNKS (0.36) TNKSENPP3CDY1; CDY1BCBX7CDYL2
SCHEMBL24523856 0.87 TNKS (0.41) TNKSENPP3CDY1; CDY1BCBX7CDYL2
SCHEMBL24523834 0.84 TNKS (0.41) TNKSENPP3CDY1; CDY1BCBX7CDYL2
SCHEMBL24523825 0.84 TNKS (0.37) TNKSENPP3CDY1; CDY1BCBX7CDYL2
SCHEMBL24524318 0.84 KMO (0.30) KMO
SCHEMBL24523749 0.80 ENPP3 (0.39) ENPP3CA1CA2ALDH1A1KDM4E
SCHEMBL21889623 0.80 ALDH1A1 (0.38) L3MBTL1RAB9AMEN1KMT2ANPC1

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