SCHEMBL25988140

SCHEMBL25988140

COc1ccc(NC(=O)N(C)C[C@H](O)CCN2CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43

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 0.84 MEN1 (0.49) MAPTALDH1A1ALOX15KDM4ETP53
SCHEMBL25987190 0.82 MEN1 (0.47) MAPTALDH1A1ALOX15KDM4EKMT2A
SCHEMBL25986892 0.81 MAPT (0.56) MAPTALDH1A1ALOX15KDM4ETP53
SCHEMBL24022601 0.74 UBE2M (0.50) MAPTALDH1A1ALOX15KDM4EKMT2A
SCHEMBL11390950 0.73 NPY5R (0.50) MAPTALDH1A1TP53KMT2AMEN1
SCHEMBL4119648 0.71 ALDH1A1 (0.58) MAPTALDH1A1ALOX15KDM4ETP53
SCHEMBL25987459 0.71 MAOA (0.41) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL25986869 0.70 NPY5R (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7534159 0.69 KDM4E (0.62) MAPTALDH1A1ALOX15KDM4EKMT2A
SCHEMBL7088596 0.68 NPC1 (0.66) MAPTALOX15TP53L3MBTL1SMN1; SMN2

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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