SCHEMBL28124797

SCHEMBL28124797

Cc1c(C(=O)O)cccc1C(=O)O.N#Cc1cccc2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.45
▸ PPARD Q03181 5/20 0.45
▸ PPARA Q07869 4/20 0.45
▸ FABP4 P15090 5/20 0.43
▸ HTR6 P50406 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP2C19 P33261 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ PPME1 Q9Y570 2/20 0.37
▸ APEH P13798 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL16916430 0.87 HTR6 (0.55) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL15564770 0.80 L3MBTL1 (0.52) PPARGPPARDPPARAHTR6MEN1
SCHEMBL20494319 0.77 PPARG (0.53) PPARGPPARDPPARAFABP4HTR6
SCHEMBL27834264 0.73 NR4A1 (0.54) ALDH1A1HPGDHTTNOTUMPOLB
SCHEMBL30229407 0.73 HTR6 (0.58) PPARGPPARDPPARAHTR6MEN1
SCHEMBL14727085 0.73 HTR6 (0.58) PPARGPPARDPPARAHTR6MEN1
SCHEMBL30675636 0.71 NOTUM (0.48) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL1352722 0.71 NOTUM (0.48) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL20742914 0.70 HTR6 (0.51) PPARGPPARDPPARAHTR6MEN1
SCHEMBL18223168 0.70 KDM4E (0.41) PPARGPPARAKMT2AALDH1A1HPGD

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-106458996-A Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2017-02-22 — — CN disclosed
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