SCHEMBL24434342

SCHEMBL24434342

CC(C)c1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ PDK2 Q15119 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ UGT2B7 P16662 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ RNASEH1 O60930 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ CA1 P00915 1/20 0.32

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
SCHEMBL17081301 0.84 ALDH1A1 (0.40) MCL1ALDH1A1GAAHPGDALOX15
SCHEMBL18789369 0.81 CTSK (0.35) MCL1
SCHEMBL22426632 0.80 CTSK (0.34) MCL1
SCHEMBL10296321 0.78 MCL1 (0.48) MCL1TRPA1ALDH1A1GAAKDM4E
SCHEMBL22144199 0.76 GABRA1 (0.39) MCL1PTGS1DHODHLMNA
SCHEMBL15233537 0.75 KIF11 (0.45) MCL1KIF11ALDH1A1HTTGAA
SCHEMBL14153895 0.72 KIF11 (0.38) MCL1KIF11ALDH1A1RORARORC
SCHEMBL13694239 0.71 MCL1 (0.47) MCL1ALDH1A1GAAKDM4ECA1
SCHEMBL16284302 0.71 KIF11 (0.52) MCL1KIF11TRPA1PTGS1CACNA1C
SCHEMBL12114031 0.71 MEN1 (0.37) MCL1TRPA1ALDH1A1HTTHIF1A

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
US-20220158189-A1 PROCESS FOR PRODUCING A SHAPED ORGANIC CHARGE STORAGE UNIT EVONIK OPERATIONS GMBH (DE) 2022-05-19 — — US disclosed
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