SCHEMBL8943161

SCHEMBL8943161

Cc1ccc(SC2=C(C(=O)c3ccc(S(C)(=O)=O)cc3Cl)C(=O)C3CCC2C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
GPR6 P46095 1/20 0.34
NR1I2 O75469 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL24193281 0.91 MEN1 (0.41) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL117919 0.91 MEN1 (0.41) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL8943536 0.87 PDE4B (0.41) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL8943532 0.87 PDE4B (0.41) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL8943326 0.86 SMO (0.38) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL12394926 0.83 RAB9A (0.37) ALDH1A1MEN1KMT2ACYP2C19PPARG
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927130 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL8577544 0.80 MEN1 (0.34) ALDH1A1MEN1KMT2ACYP2C19PPARG
SCHEMBL8577540 0.80 MEN1 (0.34) ALDH1A1MEN1KMT2ACYP2C19PPARG
Clomazone SCHEMBL17927131 0.76 BRD4 (0.34) ALDH1A1MEN1KMT2ACYP2C19PPARG

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-5525580-A USED TO PREVENT WEEDS IN PADDY FIELDS SDS BIOTECH K.K. (JP) 1996-06-11 US claimed
US-5525580-A USED TO PREVENT WEEDS IN PADDY FIELDS SDS BIOTECH K.K. (JP) 1996-06-11 US disclosed