SCHEMBL25986896

SCHEMBL25986896

COc1ccc(NC(=O)N(C)C[C@@H](O)C(O)CN2CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL25987190 0.91 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25988140 0.84 MAPT (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25987459 0.81 MAOA (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25986869 0.80 NPY5R (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL25988749 0.78 KCNH2 (0.47) MEN1KMT2AALDH1A1MAPTNPY5R
SCHEMBL25986892 0.77 MAPT (0.56) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL11390950 0.73 NPY5R (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25987189 0.72 FPR1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL24022601 0.72 UBE2M (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7534159 0.69 KDM4E (0.62) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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
EP-3600286-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PARASITIC DISEASES BROAD INST INC (US) 2023-08-16 — — EP disclosed
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