SCHEMBL8444052

SCHEMBL8444052

Cc1ccccc1C(=O)Nc1ccsc1C(C)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
CSF1R P07333 1/20 0.43
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KCNMA1 Q12791 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA2A P29274 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC16A3 O15427 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
SCHEMBL5078613 0.86 HPGD (0.50) SMN1; SMN2MAPTHPGDALDH1A1L3MBTL1
SCHEMBL5634500 0.83 L3MBTL1 (0.52) SMN1; SMN2MAPTHPGDALDH1A1L3MBTL1
SCHEMBL13292672 0.82 PRNP (0.36) SMN1; SMN2MAPTHPGDALDH1A1L3MBTL1
SCHEMBL17999737 0.82 ALDH1A1 (0.35) SMN1; SMN2MAPTHPGDALDH1A1L3MBTL1
SCHEMBL8357735 0.80 NPC1 (0.55) SMN1; SMN2MAPTHPGDALDH1A1L3MBTL1
SCHEMBL14423074 0.79 ALDH1A1 (0.50) F2RSMN1; SMN2HPGDALDH1A1L3MBTL1
SCHEMBL442079 0.79 ATM (0.51) SMN1; SMN2MAPTALDH1A1ATMCYP2C19
SCHEMBL13851050 0.75 ATM (0.37) MAPTALDH1A1L3MBTL1ATMPRNP
SCHEMBL3117691 0.75 ALDH1A1 (0.33) SMN1; SMN2MAPTHPGDALDH1A1TP53
SCHEMBL3113328 0.75 LMNA (0.32) MAPTHPGDALDH1A1L3MBTL1PRNP

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-5869427-A Substituted thiophene derivative and plant disease control agent comprising the same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-02-09 US disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed