SCHEMBL24891736

SCHEMBL24891736

CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ PIK3CA P42336 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ NAMPT P43490 9/20 0.50
▸ MELK Q14680 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ TMPRSS2 O15393 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL30182351 1.00 L3MBTL3 (0.54) L3MBTL3PIK3CAMTORNAMPTMELK
SCHEMBL24670771 0.99 L3MBTL3 (0.55) L3MBTL3PIK3CAMTORNAMPTMELK
SCHEMBL29803472 0.99 L3MBTL3 (0.55) L3MBTL3PIK3CAMTORNAMPTMELK
SCHEMBL29803702 0.90 NR1H2 (0.57) L3MBTL3PIK3CAMTORMELKTMPRSS2
SCHEMBL24670768 0.90 NR1H2 (0.57) L3MBTL3PIK3CAMTORMELKTMPRSS2
SCHEMBL24671423 0.86 PIK3CA (0.48) L3MBTL3PIK3CAMTORNAMPTHDAC1
SCHEMBL29803258 0.86 PIK3CA (0.48) L3MBTL3PIK3CAMTORNAMPTHDAC1
SCHEMBL24670772 0.86 HDAC1 (0.47) L3MBTL3PIK3CAMTORNAMPTHDAC1
SCHEMBL29803486 0.86 HDAC1 (0.47) L3MBTL3PIK3CAMTORNAMPTHDAC1
SCHEMBL23253911 0.85 PIK3CA (0.53) L3MBTL3PIK3CAMTORNAMPTHDAC1

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
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed
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