SCHEMBL21137745

SCHEMBL21137745

CCOC(=O)CC1C=C(c2ncc(C(F)(F)F)cc2Cl)C=CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL21137794 0.86 GAA (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4376390 0.71 L3MBTL1 (0.64) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL21061049 0.70 L3MBTL1 (0.54) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL21137744 0.69 GAA (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8009220 0.68 L3MBTL1 (0.51) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL709544 0.66 L3MBTL1 (0.60) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL30453140 0.66 L3MBTL1 (0.60) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL27438241 0.66 L3MBTL1 (0.51) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3935804 0.66 L3MBTL1 (0.59) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9032760 0.66 GRIN1 (0.52) L3MBTL1KDM4EMEN1KMT2AALDH1A1

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-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 — — WO disclosed
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