SCHEMBL25013345

SCHEMBL25013345

Cc1sc2cc(-c3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.43
▸ ABCB1 P08183 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ACLY P53396 1/20 0.38
▸ F9 P00740 2/20 0.37
▸ PIK3CG P48736 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL17694786 0.86 BCL2L1 (0.41) ABCB1ESR1MCL1MAPK1L3MBTL1
SCHEMBL23555889 0.85 LIMK1 (0.39) LIMK1ACLYPTPN1L3MBTL1ALOX5
SCHEMBL13713781 0.84 LIMK1 (0.44) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL6232782 0.82 LIMK1 (0.36) LIMK1ABCB1PIK3CAPI4KAPI4KB
SCHEMBL12624661 0.81 GPR3 (0.46) ACLYPTPN1MAPK1L3MBTL1CHEK1
SCHEMBL13477890 0.79 PTPN1 (0.42) TNKS2ACLYPTPN1L3MBTL1
SCHEMBL10110898 0.78 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL12562737 0.78 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL19135540 0.78 MCL1 (0.41) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL17340876 0.78 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBTNKS2

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-2023013697-A1 MATERIAL FOR METAL PATTERNING, FLUORO COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2023-02-09 — — WO disclosed
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