SCHEMBL29593402

SCHEMBL29593402

O=c1[nH]c2nc(SCc3ccccc3)ncc2cc1Oc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.52
▸ CTSB P07858 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ TOP2A P11388 1/20 0.38

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
SCHEMBL5121127 1.00 MAPK14 (0.52) MAPK14CTSBMAPTMAPK1MEN1
SCHEMBL29537119 0.82 MAPK14 (0.57) MAPK14MAPK1MAPK8
SCHEMBL13239748 0.82 MAPK14 (0.57) MAPK14MAPK1MAPK8
SCHEMBL5116423 0.79 MAPK14 (0.46) MAPK14MAPK1MAPK8
SCHEMBL5110605 0.77 MAPK14 (0.46) MAPK14MAPK1MAPK8
SCHEMBL5122277 0.77 MAPK14 (0.53) MAPK14MAPK1MAPK8
SCHEMBL22139066 0.77 MAPK14 (0.60) MAPK14MAPK1MAPK8
SCHEMBL5112933 0.75 MAPK14 (0.47) MAPK14MAPK1MAPK8
SCHEMBL1351776 0.74 KMT2A (0.47) CTSBMAPTMEN1KMT2APPARG
SCHEMBL14266291 0.73 MAPK14 (0.56) MAPK14MAPK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114748622-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-09-24 — — CN disclosed
CN-114732910-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-08-23 — — CN disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 — — CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 — — CN disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 — — CN disclosed
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