SCHEMBL25987459

SCHEMBL25987459

COc1ccc(NC(=O)N(C)CC(O)C(O)CN2CC(c3ccc(Br)cc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ FPR1 P21462 2/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL25988749 0.86 KCNH2 (0.47) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL25987189 0.82 FPR1 (0.39) MAOAMAOBMEN1KMT2ATDP1
SCHEMBL25986896 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL25989112 0.76 MTOR (0.41) MEN1KMT2AMAPTGRIN2B
SCHEMBL25986869 0.74 NPY5R (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL25987190 0.74 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL25988140 0.71 MAPT (0.54) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL24450176 0.71 KCNH2 (0.52) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL24022482 0.69 PAX8 (0.42) FPR1FPR2
SCHEMBL11390950 0.67 NPY5R (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1

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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