SCHEMBL9338665

SCHEMBL9338665

CCc1ccc(C(=S)C=Cc2cccc(Br)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A19 Q695T7 1/20 0.51
▸ HSD17B3 P37058 1/20 0.50
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ BACE1 P56817 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL9337818 0.88 HDAC4 (0.45) SLC6A19MAOAMAOBALDH1A1MAPT
SCHEMBL9779017 0.86 MAOB (0.48) MAOAMAOBALDH1A1MAPTNPSR1
SCHEMBL9338586 0.84 NPSR1 (0.48) SLC6A19MAOAMAOBALDH1A1MAPT
SCHEMBL10498288 0.84 SLC6A19 (0.45) SLC6A19HSD17B3MAOAMAOBPOLB
SCHEMBL9337686 0.84 HSD17B3 (0.54) SLC6A19HSD17B3MAOAMAOBBACE1
SCHEMBL9338680 0.83 HDAC4 (0.39) SLC6A19MAOAMAOBALDH1A1MAPT
SCHEMBL9338406 0.83 BCL2 (0.43) MAPTSMN1; SMN2PLAAT5PLAAT4RELA
SCHEMBL9339939 0.82 MAOB (0.54) MAOAMAOBALDH1A1HTTMEN1
SCHEMBL9338013 0.82 PTGS2 (0.44) SLC6A19MAOAMAOBALDH1A1MAPT
SCHEMBL9339925 0.82 HDAC4 (0.41) MAOAMAOBALDH1A1MAPTNPSR1

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
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP claimed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
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
Send feedback