SCHEMBL29078338

SCHEMBL29078338

CC1CCc2cccc(NC(=O)c3cccnc3C(F)F)c21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDR P35968 2/20 0.37
▸ CNR1 P21554 5/20 0.37
▸ CNR2 P34972 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PABPC1 P11940 1/20 0.35
▸ EIF4H Q15056 1/20 0.35

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
SCHEMBL29078307 0.88 KDM4E (0.39) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL29011319 0.87 L3MBTL1 (0.39) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL17857893 0.82 KDM4E (0.39) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL17854910 0.80 ALDH1A1 (0.38) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL29351971 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL17854883 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL17854885 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL29372054 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL21359712 0.79 ALDH1A1 (0.45) KDM4EALDH1A1KDRCNR1CNR2
SCHEMBL24403564 0.78 L3MBTL1 (0.58) KDM4EALDH1A1KDRSMN1; SMN2MAPT

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
CN-111406055-B Microbiocidal thiazole derivatives 先正达参股股份有限公司 2023-09-22 — — CN disclosed
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