SCHEMBL22337785

SCHEMBL22337785

Cc1ccc(NC(=O)[C@@H]2CCN(C)C2=O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GLA P06280 1/20 0.34
▸ EPHX2 P34913 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL22310185 0.88 ALDH1A1 (0.49) ALDH1A1LMNANPC1EPHX2TP53
SCHEMBL22337503 0.82 TP53 (0.51) ALDH1A1KDM4EEPHX2TP53GAA
SCHEMBL30486800 0.82 TP53 (0.51) ALDH1A1KDM4EEPHX2TP53GAA
SCHEMBL22337322 0.82 TP53 (0.51) ALDH1A1KDM4EEPHX2TP53GAA
SCHEMBL22337697 0.81 EPHX2 (0.44) ALDH1A1LMNAGLAEPHX2TP53
SCHEMBL25633256 0.80 L3MBTL1 (0.49) ALDH1A1KDM4ELMNANPC1HPGD
SCHEMBL22309840 0.80 TP53 (0.55) NPC1TP53GAA
SCHEMBL21662059 0.79 KMT2A (0.53) ALDH1A1KDM4ELMNANPC1EPHX2
SCHEMBL30486811 0.79 KMT2A (0.53) ALDH1A1KDM4ELMNANPC1EPHX2
SCHEMBL30486807 0.79 KMT2A (0.53) ALDH1A1KDM4ELMNANPC1EPHX2

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-2020161147-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
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