SCHEMBL29584832

SCHEMBL29584832

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ccncn4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM5A P29375 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL29243565 1.00 SMO (0.38) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL29584093 0.89 MEN1 (0.40) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL29583151 0.89 EPHX2 (0.39) SMOKMT2AKDM5AGAAMAPK1
SCHEMBL24424599 0.89 MEN1 (0.40) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL30630648 0.89 TSHR (0.39) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL24423857 0.89 EPHX2 (0.39) SMOKMT2AKDM5AGAAMAPK1
SCHEMBL29243429 0.89 TSHR (0.39) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL29586158 0.89 TSHR (0.39) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL29243892 0.89 SMO (0.40) SMOKMT2AALDH1A1KDM5AGAA
SCHEMBL29584813 0.89 MEN1 (0.40) SMOKMT2AKDM5AGAAMAPK1

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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