SCHEMBL24523916

SCHEMBL24523916

N#Cc1ccc2c3cccc4c5ccc(C#N)c(-c6ccccc6)c5n(c2c1-c1ccccc1)c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
PDE9A O76083 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL24523899 0.91 CYP11B1 (0.40) ARMAOAMAOBALDH1A1HPGD
SCHEMBL24524254 0.85 AR (0.39) ARALDH1A1CA1CA2KDM4E
SCHEMBL24523886 0.77 ALDH1A1 (0.38) MAOAMAOBALDH1A1HPGDMAPK1
SCHEMBL24524261 0.74 PNMT (0.41) ARALDH1A1CA1CA2KDM4E
SCHEMBL24523891 0.74 ALDH1A1 (0.39) ARALDH1A1CA1CA2KDM4E
SCHEMBL18411452 0.73 TSHR (0.46) ALDH1A1HPGDSMN1; SMN2LMNACA1
SCHEMBL24523907 0.73 MAOA (0.40) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL24523750 0.72 MAOA (0.40) MAOAMAOBALDH1A1HPGDSMN1; SMN2
SCHEMBL28203556 0.72 CA1 (0.47) ARMAOAMAOBALDH1A1LMNA
SCHEMBL24523848 0.71 AR (0.33) ARALDH1A1CA1CA2KDM4E

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