SCHEMBL10317419

SCHEMBL10317419

O=C(O)CN(c1ccc2c(c1)CCN2c1ccc(Cl)nn1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 1/20 0.35
PTPN11 Q06124 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3298104 0.89 POLB (0.37) POLBHTTNPSR1LMNATP53
SCHEMBL3302811 0.89 POLB (0.37) POLBHTTNPSR1LMNATP53
SCHEMBL10316823 0.89 KEAP1 (0.39) POLBHTTNPSR1LMNATP53
Hydrochloric Acid SCHEMBL3297336 0.88 POLB (0.36) POLBHTTNPSR1LMNATP53
SCHEMBL13390174 0.87 GPR119 (0.37) POLBHTTNPSR1LMNATP53
SCHEMBL13391394 0.86 POLB (0.35) POLBHTTNPSR1LMNATP53
SCHEMBL10317000 0.83 HTT (0.42) POLBHTTNPSR1LMNATP53
SCHEMBL4429616 0.83 POLB (0.40) POLBHTTNPSR1LMNATP53
SCHEMBL13391395 0.83 HTT (0.34) POLBHTTNPSR1LMNATP53
Hydrochloric Acid SCHEMBL3300321 0.83 POLB (0.40) POLBHTTNPSR1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed