SCHEMBL25987190

SCHEMBL25987190

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NPY5R Q15761 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL25986896 0.91 MEN1 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL25988140 0.82 MAPT (0.54) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL25986869 0.76 NPY5R (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25986892 0.75 MAPT (0.56) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL25987459 0.74 MAOA (0.41) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL24022601 0.72 UBE2M (0.50) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11390950 0.71 NPY5R (0.50) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL25988749 0.70 KCNH2 (0.47) MEN1KMT2AMAPTALDH1A1NPY5R
SCHEMBL7534159 0.68 KDM4E (0.62) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL7088596 0.67 NPC1 (0.66) L3MBTL1MAPTALOX15SMN1; SMN2POLB

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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