SCHEMBL9879956

SCHEMBL9879956

CCCCCCc1ccncc1C(=O)S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 5/20 0.40
KDM6B O15054 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39

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
SCHEMBL6072747 0.86 KDM6B (0.51) PTGDR2KDM6BKDM4CBIDMCL1
SCHEMBL5002870 0.86 KDM6B (0.51) PTGDR2KDM6BKDM4CBIDMCL1
SCHEMBL4998341 0.86 KDM6B (0.51) PTGDR2KDM6BKDM4CBIDMCL1
SCHEMBL5002411 0.86 KDM6B (0.51) PTGDR2KDM6BKDM4CBIDMCL1
SCHEMBL4998464 0.86 KDM6B (0.51) PTGDR2KDM6BKDM4CBIDMCL1
SCHEMBL374104 0.83 TDP1 (0.51) PTGDR2TDP1L3MBTL1TRPV1KDM6B
SCHEMBL18599002 0.80 KDM6B (0.43) PTGDR2TDP1L3MBTL1TRPV1KDM6B
SCHEMBL4005290 0.80 GABRP (0.55) PTGDR2TDP1L3MBTL1TRPV1KDM6B
SCHEMBL9456049 0.78 LIPG (0.54) LMNABIDMCL1BCL2L1BAK1
SCHEMBL11570752 0.78 LIPG (0.54) LMNABIDMCL1BCL2L1BAK1

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
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed