SCHEMBL24523737

SCHEMBL24523737

CC(C)c1cc2c3cccc4c5cc(C(C)C)c(C#N)cc5n(c2cc1C#N)c34

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.35
IMPDH1 P20839 1/20 0.32
MAOA P21397 1/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL24524247 0.85 IMPDH2 (0.31) IMPDH2AR
SCHEMBL24523725 0.80 IMPDH2 (0.38) IMPDH2MAOAKDM4EALDH1A1GAA
SCHEMBL24523738 0.76 TRPV4 (0.38) IMPDH2MAOAKDM4EALDH1A1MAPT
SCHEMBL24523742 0.75 IMPDH2 (0.34) IMPDH2IMPDH1MAOAKDM4EALDH1A1
SCHEMBL24524244 0.74 MAP4K1 (0.37) IMPDH2ARALDH1A1
SCHEMBL24523744 0.73 AR (0.44) AR
SCHEMBL24523907 0.73 MAOA (0.40) IMPDH2MAOAKDM4EALDH1A1GAA
SCHEMBL24523735 0.72 BRD1 (0.31)
SCHEMBL24523770 0.70 IMPDH2 (0.38) IMPDH2IMPDH1MAOAKDM4EALDH1A1
SCHEMBL24523906 0.70 IMPDH2 (0.38) IMPDH2IMPDH1ARKDM4EALDH1A1

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