SCHEMBL22426632

SCHEMBL22426632

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.34
▸ CTSS P25774 4/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CTSL P07711 4/20 0.33
▸ CTSB P07858 1/20 0.31
▸ SLC22A12 Q96S37 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
SCHEMBL17081301 0.83 ALDH1A1 (0.40) MCL1SLC22A12
SCHEMBL18789369 0.83 CTSK (0.35) CTSKCTSSMCL1CTSLCTSB
SCHEMBL24434342 0.80 MCL1 (0.45) MCL1
SCHEMBL22144199 0.73 GABRA1 (0.39) CTSKCTSSMCL1SLC22A12
SCHEMBL10296321 0.69 MCL1 (0.48) MCL1
SCHEMBL15233537 0.66 KIF11 (0.45) MCL1
SCHEMBL1774828 0.66 LMNA (0.46) —
SCHEMBL14153895 0.64 KIF11 (0.38) MCL1
SCHEMBL24542870 0.64 KDM4E (0.32) MCL1SLC22A12
SCHEMBL19141690 0.64 ACHE (0.41) CTSL

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-2020182327-A1 PROCESS FOR PRODUCING A SHAPED ORGANIC CHARGE STORAGE UNIT EVONIK OPERATIONS GMBH (DE) 2020-09-17 — — WO disclosed
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