SCHEMBL25987189

SCHEMBL25987189

COc1ccc(NC(=O)N(C)C[C@@H](O)[C@@H](O)CN2C[C@@H](c3ccc(Br)cc3)C2C[SiH2]C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 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
SCHEMBL25987459 0.82 MAOA (0.41) FPR1ALDH1A1MAPTTSHRNPSR1
SCHEMBL24450176 0.79 KCNH2 (0.52) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL24022482 0.77 PAX8 (0.42) FPR1FPR2
SCHEMBL25986869 0.72 NPY5R (0.41) ALDH1A1MAPTMEN1KMT2AUBE2M
SCHEMBL25986896 0.72 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL25988749 0.70 KCNH2 (0.47) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL24450180 0.67 KCNH2 (0.51) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL24022488 0.67 PAX8 (0.48) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL24449479 0.67 PAX8 (0.48) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL25987190 0.67 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB

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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