SCHEMBL8943348

SCHEMBL8943348

CS(=O)(=O)c1ccc(C(=O)C2=C(Sc3c(Cl)cccc3Cl)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 6/20 0.37
USP47 Q96K76 6/20 0.37
ALDH1A1 P00352 4/20 0.35
VCAM1 P19320 1/20 0.33
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.32
NR1I2 O75469 1/20 0.32
CACNA1B Q00975 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL7993239 0.83 ALDH1A1 (0.38) ALDH1A1VCAM1LMNACYP2C9MAPT
SCHEMBL8943326 0.82 SMO (0.38) ALDH1A1LMNANR1I2CACNA1BMAPT
SCHEMBL2347024 0.81 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9MAPTMEN1
SCHEMBL2347028 0.81 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9MAPTMEN1
Mesotrione SCHEMBL17927166 0.80 HPD (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL24193281 0.78 MEN1 (0.41) ALDH1A1LMNANR1I2CACNA1BMAPT
SCHEMBL117919 0.78 MEN1 (0.41) ALDH1A1LMNANR1I2CACNA1BMAPT
SCHEMBL8943536 0.78 PDE4B (0.41) ALDH1A1LMNANR1I2CACNA1BMAPT
SCHEMBL8943532 0.78 PDE4B (0.41) ALDH1A1LMNANR1I2CACNA1BMAPT
SCHEMBL8943161 0.75 ALDH1A1 (0.52) ALDH1A1LMNANR1I2CACNA1BMAPT

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