SCHEMBL7854282

SCHEMBL7854282

CCCC(C)C1=C(C#N)C(=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 3/20 0.37
▸ USP7 Q93009 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ USP47 Q96K76 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ BCL2 P10415 2/20 0.33
▸ CDC25B P30305 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP2 O95551 2/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL187098 0.73 MEN1 (0.55) USP8USP7SMN1; SMN2USP47ALDH1A1
SCHEMBL29496222 0.73 MEN1 (0.55) USP8USP7SMN1; SMN2USP47ALDH1A1
SCHEMBL8144473 0.72 TDP2 (0.50) SMN1; SMN2ALDH1A1BCL2CDC25BNPC1
SCHEMBL3625568 0.72 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CDC25BNPC1LMNA
SCHEMBL28383679 0.69 USP8 (0.50) USP8USP7SMN1; SMN2USP47BCL2
SCHEMBL10696799 0.68 RAB9A (0.39) USP8USP7SMN1; SMN2USP47ALDH1A1
SCHEMBL526269 0.67 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1BCL2CDC25BNPC1
SCHEMBL29808347 0.67 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1BCL2CDC25BNPC1
SCHEMBL11443355 0.67 ESR2 (0.38) USP8USP7SMN1; SMN2ALDH1A1NPC1
SCHEMBL395873 0.67 LMNA (0.47) USP8USP7SMN1; SMN2USP47ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144407-A1 CYCLIC GUANIDINE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer Aktiengesellschaft (DE) 2001-10-17 — — EP disclosed
EP-1023276-A1 MICROBICIDE 1,4,2-DIOXACINE DERIVATIVES BAYER AG (DE) 2000-08-02 — — EP disclosed
WO-2000040582-A1 CYCLIC GUANIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-13 — — WO disclosed
WO-1999019312-A1 MICROBICIDE 1,4,2-DIOXACINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-04-22 — — WO disclosed
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