SCHEMBL12502989

SCHEMBL12502989

CCOC(=O)C(C(=O)OCC)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ RECQL P46063 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL21061051 0.84 MAPK1 (0.46) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL1274836 0.82 MEN1 (0.45) MEN1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL21061049 0.80 L3MBTL1 (0.54) MEN1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL22783988 0.80 SMN1; SMN2 (0.53) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL5211782 0.78 KMT2A (0.82) MEN1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL29649689 0.78 KMT2A (0.82) MEN1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL30836057 0.77 CES2 (0.49) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL1043810 0.77 CES2 (0.49) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL6179089 0.77 MEN1 (0.49) MEN1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL6179880 0.77 MEN1 (0.49) MEN1KMT2ARECQLCYP1A2CYP3A4

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-2012106495-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 — — WO disclosed
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