SCHEMBL29584991

SCHEMBL29584991

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)n[nH]2)c(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ THRB P10828 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ KDM5A P29375 1/20 0.40

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
SCHEMBL29243756 1.00 KMT2A (0.50) KMT2AMEN1POLBMAPTACHE
SCHEMBL24422946 0.93 KMT2A (0.49) KMT2AMEN1POLBMAPTACHE
SCHEMBL29584116 0.93 KMT2A (0.49) KMT2AMEN1POLBMAPTACHE
SCHEMBL29583230 0.92 KMT2A (0.47) KMT2AMEN1POLBMAPTACHE
SCHEMBL24424310 0.92 KMT2A (0.47) KMT2AMEN1POLBMAPTACHE
SCHEMBL24424347 0.86 THRB (0.45) KMT2AMEN1MAPTACHEBACE1
SCHEMBL29584425 0.86 THRB (0.45) KMT2AMEN1MAPTACHEBACE1
SCHEMBL24423922 0.85 KMT2A (0.51) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29583326 0.85 KMT2A (0.51) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL24423689 0.84 KMT2A (0.50) KMT2AMEN1POLBMAPTALDH1A1

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
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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