SCHEMBL9427770

SCHEMBL9427770

CC([S])Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL5173197 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL343269 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1453001 0.78 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1713865 0.77 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2MAPTHPGD
Fluoride SCHEMBL1336886 0.76 MAOA (0.48) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL23331965 0.74 MAOA (0.52) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL7362590 0.74 MAOA (0.52) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL3885342 0.74 MAOA (0.41) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL24012949 0.74 MAOA (0.41) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL95522 0.74 LMNA (0.42) MAOAMAOBSMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283341-A Catalytic alkylation NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-02-01 US disclosed
EP-0516982-A1 Process for producing a heterocyclic tertiary amine NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed