SCHEMBL29577773

SCHEMBL29577773

O=C(Nc1ccccc1)C1(C(=O)NC2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 4/20 0.60
EPHX2 P34913 3/20 0.60
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29576935 0.98 EPHX1 (0.63) EPHX1SMN1; SMN2RAB9AEPHX2LMNA
SCHEMBL29577155 0.98 EPHX1 (0.63) EPHX1SMN1; SMN2RAB9AEPHX2LMNA
SCHEMBL27006607 0.94 EPHX2 (0.51) EPHX1SMN1; SMN2RAB9AEPHX2LMNA
SCHEMBL9304492 0.83 TSHR (0.54) EPHX1SMN1; SMN2EPHX2LMNAMEN1
SCHEMBL25649877 0.82 NPC1 (0.69) EPHX1SMN1; SMN2RAB9AEPHX2MEN1
SCHEMBL27006605 0.81 ALDH1A1 (0.51) SMN1; SMN2RAB9ALMNAMAPTMAPK1
SCHEMBL27006611 0.78 KMT2A (0.60) EPHX2LMNAMEN1KMT2AMAPT
SCHEMBL2752734 0.77 RAB9A (0.96) EPHX1SMN1; SMN2RAB9AEPHX2LMNA
SCHEMBL106428 0.77 SPHK1 (0.50) EPHX1SMN1; SMN2EPHX2LMNAMEN1
SCHEMBL10202156 0.76 TSHR (0.48) EPHX1SMN1; SMN2EPHX2LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251606-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-10-04 EP claimed
WO-2022112347-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2022-06-02 WO claimed
EP-4251606-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-10-04 EP disclosed
WO-2022112347-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2022-06-02 WO disclosed