SCHEMBL8943326

SCHEMBL8943326

Cc1cccc(C)c1SC1=C(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)C(=O)C2CCC1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CACNA1B Q00975 3/20 0.37
NR1I2 O75469 2/20 0.37
GPR6 P46095 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
USP28 Q96RU2 3/20 0.33
RORC P51449 2/20 0.33
PAK1 Q13153 1/20 0.32

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
SCHEMBL117919 0.87 MEN1 (0.41) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL24193281 0.87 MEN1 (0.41) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8943532 0.86 PDE4B (0.41) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8943536 0.86 PDE4B (0.41) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8943161 0.86 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CYP2C19PPARG
SCHEMBL8943348 0.82 USP7 (0.37) MEN1KMT2AALDH1A1CACNA1BNR1I2
SCHEMBL8577540 0.79 MEN1 (0.34) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8577544 0.79 MEN1 (0.34) SMOMEN1KMT2AALDH1A1CYP2C19
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927130 0.77 ALDH1A1 (0.38) SMOMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8943309 0.77 GPR6 (0.41) SMOMEN1KMT2AALDH1A1CYP2C19

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