SCHEMBL8932685

SCHEMBL8932685

O=C1NC(=O)C(Cc2cc3ccccc3[nH]2)S1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
PPARG P37231 5/20 0.47
MAOA P21397 2/20 0.46
CISD1 Q9NZ45 2/20 0.46
MAPT P10636 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
FFAR1 O14842 4/20 0.41
CA2 P00918 1/20 0.41
DAO P14920 1/20 0.41
DDO Q99489 1/20 0.41
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
PPARA Q07869 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
SCHEMBL96600 0.83 PPARG (0.48) PPARGMAOACISD1MAPTALDH1A1
SCHEMBL1016492 0.81 PPARG (0.57) PPARGFFAR1PPARA
SCHEMBL8932730 0.81 FFAR1 (0.42) HDAC8PPARGMAOACISD1MAPT
SCHEMBL9573682 0.78 PPARG (0.42) HDAC8PPARGMAOACISD1MAPT
SCHEMBL13846702 0.74 PPARG (0.59) PPARGMAOACISD1MAPTMAOB
SCHEMBL13846716 0.74 PPARG (0.49) PPARGMAOACISD1MAPTMAOB
SCHEMBL1011574 0.72 HDAC8 (0.65) HDAC8LOXL2ALDH1A1MTNR1AMTNR1B
SCHEMBL8981993 0.72 KDM4E (0.53) HDAC8MAPTALDH1A1
SCHEMBL8547054 0.72 KDM4E (0.53) HDAC8MAPTALDH1A1
SCHEMBL98544 0.72 ALDH1A1 (0.49) PPARGMAOACISD1MAPTALDH1A1

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
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed