SCHEMBL22337697

SCHEMBL22337697

Cc1ccc(NC(=O)[C@@H]2CCN(C)C2=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL22309840 0.89 TP53 (0.55) TP53KMT2AGAASMN1; SMN2HTT
SCHEMBL30486807 0.83 KMT2A (0.53) EPHX2KMT2AGAALMNATSHR
SCHEMBL21662059 0.83 KMT2A (0.53) EPHX2KMT2AGAALMNATSHR
SCHEMBL30486811 0.83 KMT2A (0.53) EPHX2KMT2AGAALMNATSHR
SCHEMBL22310185 0.82 ALDH1A1 (0.49) EPHX2TP53LMNATSHRALDH1A1
SCHEMBL22337785 0.81 ALDH1A1 (0.38) EPHX2TP53GLAGAALMNA
SCHEMBL22337322 0.79 TP53 (0.51) EPHX2TP53KMT2AGAATSHR
SCHEMBL22337503 0.79 TP53 (0.51) EPHX2TP53KMT2AGAATSHR
SCHEMBL30486800 0.79 TP53 (0.51) EPHX2TP53KMT2AGAATSHR
SCHEMBL16454777 0.78 TP53 (0.57) EPHX2TP53KMT2AGAATSHR

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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