SCHEMBL29243737

SCHEMBL29243737

COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncc(C(F)F)cn4)CC3)n[nH]2)c(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 9/20 0.39
▸ CHEK1 O14757 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SMO Q99835 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL29585180 1.00 KDM5A (0.39) KDM5ACHEK1HTR1ASMOMEN1
SCHEMBL24423551 0.92 KDM5A (0.39) KDM5ACHEK1SMOMEN1KMT2A
SCHEMBL29243462 0.90 SMO (0.42) KDM5ACHEK1SMOMEN1KMT2A
SCHEMBL29585281 0.90 SMO (0.42) KDM5ACHEK1SMOMEN1KMT2A
SCHEMBL29243767 0.90 KDM5A (0.37) KDM5ASMOMEN1KMT2AALDH1A1
SCHEMBL24423623 0.90 PRKAA2 (0.40) KDM5ASMOKMT2AALDH1A1
SCHEMBL24424139 0.88 KDM5A (0.37) KDM5AHTR1ASMOMEN1KMT2A
SCHEMBL24423608 0.88 KDM5A (0.39) KDM5ASMOMEN1KMT2AALDH1A1
SCHEMBL24424124 0.86 EPHX2 (0.39) KDM5ASMOMEN1KMT2AACHE
SCHEMBL30629601 0.86 EPHX2 (0.39) KDM5ASMOMEN1KMT2AACHE

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 1 patent. 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 disclosed
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