SCHEMBL30629601

SCHEMBL30629601

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4cccc(C(F)F)n4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM5A P29375 2/20 0.37
▸ SMO Q99835 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ LIMK2 P53671 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ GAA P10253 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
SCHEMBL24424124 1.00 EPHX2 (0.39) EPHX2MEN1KMT2AKDM5ASMO
SCHEMBL29243829 0.92 MEN1 (0.41) EPHX2MEN1KMT2ASMOACHE
SCHEMBL29585836 0.92 MEN1 (0.41) EPHX2MEN1KMT2ASMOACHE
SCHEMBL24424319 0.89 CDK9 (0.39) EPHX2MEN1KMT2ASMOGAA
SCHEMBL24424139 0.89 KDM5A (0.37) EPHX2MEN1KMT2AKDM5ASMO
SCHEMBL24423608 0.89 KDM5A (0.39) EPHX2MEN1KMT2AKDM5ASMO
SCHEMBL29585485 0.87 SMO (0.41) EPHX2MEN1KMT2AKDM5ASMO
SCHEMBL24423840 0.86 SMO (0.43) EPHX2MEN1KMT2ASMOACHE
SCHEMBL24424028 0.86 ALDH1A1 (0.38) EPHX2MEN1KMT2AKDM5ASMO
SCHEMBL29584832 0.86 SMO (0.38) EPHX2MEN1KMT2AKDM5ASMO

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