SCHEMBL22144199

SCHEMBL22144199

CC(C)Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.34
▸ PTGS2 P35354 5/20 0.34
▸ MCL1 Q07820 2/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ PTGS1 P23219 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ CXCR1 P25024 2/20 0.32
▸ CXCR2 P25025 2/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ ALB P02768 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ ADRB3 P13945 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
SCHEMBL24542870 0.78 KDM4E (0.32) SLC22A12MCL1LMNATSHR
SCHEMBL24434342 0.76 MCL1 (0.45) DHODHMCL1PTGS1LMNA
SCHEMBL17081301 0.75 ALDH1A1 (0.40) SLC22A12MCL1CYP2C9TSHR
SCHEMBL10296321 0.74 MCL1 (0.48) MCL1TSHR
SCHEMBL22426632 0.73 CTSK (0.34) SLC22A12MCL1CTSSCTSK
SCHEMBL15233537 0.71 KIF11 (0.45) MCL1LMNANFKB1
SCHEMBL14153895 0.69 KIF11 (0.38) GABRA1MCL1LMNA
SCHEMBL13694239 0.68 MCL1 (0.47) MCL1TSHR
SCHEMBL12114031 0.68 MEN1 (0.37) GABRA1GABRB2MCL1LMNA
SCHEMBL23346236 0.67 ALOX5 (0.39) DHODHMCL1LMNAALOX5ESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4016663-B1 ELECTRODE MATERIAL FOR THE PRINTING OF POLYMER BATTERIES INNOVATIONLAB GMBH (DE) 2023-10-11 — — EP disclosed
US-20220158189-A1 PROCESS FOR PRODUCING A SHAPED ORGANIC CHARGE STORAGE UNIT EVONIK OPERATIONS GMBH (DE) 2022-05-19 — — US disclosed
WO-2020126200-A1 SOLID ELECTROLYTE FOR ORGANIC BATTERIES EVONIK OPERATIONS GMBH (DE) 2020-06-25 — — WO disclosed
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