SCHEMBL22018669

SCHEMBL22018669

O=C(O)CC[n+]1ccc(C(=O)NCc2ccc(F)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 4/20 0.44
ROCK2 O75116 1/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
CXCR4 P61073 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPK14 Q16539 1/20 0.42
THRB P10828 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL22018673 0.89 APOBEC3A (0.52) L3MBTL1SMN1; SMN2LMNAROCK2APOBEC3A
SCHEMBL22018043 0.83 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2LMNAROCK2KMT2A
SCHEMBL22018099 0.80 MAPK1 (0.35) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL22018315 0.78 MEN1 (0.34) KMT2ACYP1A2CYP2C19MEN1CYP3A4
SCHEMBL22018650 0.77 CA2 (0.34) CYP1A2CYP2C19FOLH1
SCHEMBL22018297 0.77 BAZ2B (0.39) HTTSMN1; SMN2
SCHEMBL22018316 0.77 MAPK1 (0.38) SMN1; SMN2KMT2ACYP1A2CYP2C19MEN1
SCHEMBL22017877 0.77 CTSL (0.35) CYP1A2CYP2C19APOBEC3ACTDSP1APOBEC3G
SCHEMBL22018672 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2ACYP1A2CYP2C19
SCHEMBL22018667 0.77 CA1 (0.41) CYP1A2CYP2C19APOBEC3ACTDSP1APOBEC3G

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed