SCHEMBL30352697

SCHEMBL30352697

Cc1cccc(CC(=O)Br)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL7073775 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL29635163 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL29407189 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL1699683 0.82 CTBP2 (0.59) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL1259064 0.82 CTBP2 (0.59) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL2532630 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL504093 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL10137770 0.81 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL12106784 0.81 CTBP2 (0.54) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL24458263 0.80 CTBP2 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111635435-B Bivalent copper complex containing biphosphine ortho-carborane ligand, and preparation method and application thereof 上海应用技术大学 2023-04-28 — — CN claimed
CN-111635435-B Bivalent copper complex containing biphosphine ortho-carborane ligand, and preparation method and application thereof 上海应用技术大学 2023-04-28 — — CN disclosed
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