SCHEMBL9338406

SCHEMBL9338406

CCc1ccc(C(=S)C=Cc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.43
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ RELA Q04206 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ AKR1C3 P42330 3/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ AKR1C4 P17516 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL9342747 0.90 AKR1C3 (0.44) BCL2BCHEPTGS2AKR1C3SMN1; SMN2
SCHEMBL9342248 0.87 BCHE (0.44) BCL2BCHEPTGS2SMN1; SMN2CASP3
SCHEMBL9337818 0.86 HDAC4 (0.45) BCL2PTGS2SMN1; SMN2PTGS1NPC1
SCHEMBL9779017 0.83 MAOB (0.48) RELAPTGS2SMN1; SMN2CASP3SENP7
SCHEMBL9338665 0.83 SLC6A19 (0.51) PLAAT5PLAAT4RELASMN1; SMN2MAPT
SCHEMBL9338586 0.82 NPSR1 (0.48) PTGS2SMN1; SMN2PTGS1NPC1MAPT
SCHEMBL9338680 0.81 HDAC4 (0.39) PTGS2SMN1; SMN2PTGS1NPC1MAPT
SCHEMBL9339939 0.80 MAOB (0.54) RELABCHE
SCHEMBL9338013 0.80 PTGS2 (0.44) PTGS2SMN1; SMN2PTGS1NPC1MAPT
SCHEMBL9339925 0.80 HDAC4 (0.41) SMN1; SMN2CASP3SENP7NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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