SCHEMBL29601685

SCHEMBL29601685

CCCCOC(=O)N(C)c1cc(C(F)(F)F)cnc1NC(N)=S

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.34
XDH P47989 1/20 0.34
POLB P06746 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
SCHEMBL22583484 0.82 ALDH1A1 (0.39) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL29601868 0.82 ALDH1A1 (0.39) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL22583092 0.81 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29679633 0.71 PPARG (0.38) HPGDKDM4EALDH1A1ATF1NFKB1
SCHEMBL29435582 0.66 KMT2A (0.37) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL22583033 0.66 KMT2A (0.37) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL27669867 0.65 KDM4E (0.48) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL2780020 0.65 ALDH1A1 (0.62) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29028879 0.64 HPGD (0.49) MEN1KMT2AHPGDL3MBTL1KDM4E
SCHEMBL22583237 0.63 SMN1; SMN2 (0.40) MEN1KMT2AL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed