SCHEMBL29577646

SCHEMBL29577646

CC1CC1(C(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.52
EPHX2 P34913 2/20 0.52
TP53 P04637 2/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
KIF11 P52732 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL307697 0.80 SLC6A2 (0.48) SMN1; SMN2LMNAALDH1A1EPHX2TP53
SCHEMBL21580284 0.76 LMNA (0.63) SMN1; SMN2LMNAALDH1A1TP53MAPT
SCHEMBL11733601 0.75 SMN1; SMN2 (1.00) SMN1; SMN2LMNAALDH1A1EPHX2TP53
SCHEMBL167618 0.75 KIF11 (0.79) SMN1; SMN2LMNAALDH1A1TP53MAPT
SCHEMBL29693415 0.74 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1EPHX2TP53
SCHEMBL19373187 0.74 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1EPHX2TP53
SCHEMBL27006609 0.74 LMNA (0.64) SMN1; SMN2LMNAALDH1A1EPHX2TP53
SCHEMBL21580340 0.74 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1EPHX2TP53
Hydrochloric Acid SCHEMBL30543132 0.73 KIF11 (0.77) SMN1; SMN2LMNAALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL27946916 0.73 KIF11 (0.77) SMN1; SMN2LMNAALDH1A1TP53MAPT

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