SCHEMBL29584822

SCHEMBL29584822

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cnc(C)cn4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ KDM5A P29375 4/20 0.39
▸ SMO Q99835 3/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29243798 1.00 MAPT (0.40) MAPTKDM5ASMOMEN1KMT2A
SCHEMBL29584093 0.92 MEN1 (0.40) KDM5ASMOMEN1KMT2AALDH1A1
SCHEMBL24424599 0.92 MEN1 (0.40) KDM5ASMOMEN1KMT2AALDH1A1
SCHEMBL29585836 0.91 MEN1 (0.41) SMOMEN1KMT2AALDH1A1ACHE
SCHEMBL29243829 0.91 MEN1 (0.41) SMOMEN1KMT2AALDH1A1ACHE
SCHEMBL29586158 0.91 TSHR (0.39) KDM5ASMOKMT2AALDH1A1USP2
SCHEMBL29585666 0.91 KMT2A (0.38) KDM5ASMOMEN1KMT2AALDH1A1
SCHEMBL24423857 0.91 EPHX2 (0.39) KDM5ASMOMEN1KMT2AACHE
SCHEMBL29583151 0.91 EPHX2 (0.39) KDM5ASMOMEN1KMT2AACHE
SCHEMBL30630648 0.91 TSHR (0.39) KDM5ASMOKMT2AALDH1A1USP2

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 3 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
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN 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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