SCHEMBL24523770

SCHEMBL24523770

Cc1c(C#N)cc2c(c1C)c1cccc3c4c(C)c(C)c(C#N)cc4n2c13

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
MAOA P21397 6/20 0.33
TSHR P16473 1/20 0.33
MAOB P27338 4/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IMPDH1 P20839 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
SCHEMBL24523752 0.85 KDM4E (0.34) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24523731 0.79 IMPDH2 (0.33) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24523742 0.78 IMPDH2 (0.34) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24523725 0.77 IMPDH2 (0.38) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24524314 0.76 PNMT (0.33) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24524309 0.76 AR (0.34) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24524252 0.75 IMPDH2 (0.37) IMPDH2KDM4EALDH1A1MAPTMAOA
SCHEMBL24523750 0.75 MAOA (0.40) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24523729 0.75 AR (0.34) IMPDH2KDM4EALDH1A1MAPTGAA
SCHEMBL24523891 0.70 ALDH1A1 (0.39) IMPDH2KDM4EALDH1A1MAPTGAA

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