SCHEMBL18784231

SCHEMBL18784231

NCCCc1cc(CS(=O)(=O)c2ccccc2)ccc1-c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.41
HTR6 P50406 4/20 0.36
ALOX5AP P20292 1/20 0.35
MAPT P10636 1/20 0.35
PLAU P00749 1/20 0.35
NAT1 P18440 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TPSAB1 Q15661 1/20 0.31
MCL1 Q07820 1/20 0.31
CNR2 P34972 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL18784223 0.83 CSNK2A1 (0.39) CSNK2A1HTR6ALOX5APMAPTPLAU
SCHEMBL14725681 0.80 NAT1 (0.35) ALOX5APPLAUNAT1PTGES2TSHR
SCHEMBL18784244 0.79 CSNK2A1 (0.40) CSNK2A1HTR6ALOX5APMAPTPLAU
SCHEMBL18784242 0.79 CSNK2A1 (0.40) CSNK2A1HTR6ALOX5APMAPTPLAU
Hydrochloric Acid SCHEMBL1648037 0.79 NAT1 (0.34) CSNK2A1ALOX5APPLAUNAT1PTGES2
SCHEMBL6844903 0.74 METAP2 (0.39) ALOX5APPLAUNAT1PTGES2TSHR
Hydrochloric Acid SCHEMBL1648362 0.73 METAP2 (0.39) CSNK2A1ALOX5APPLAUNAT1TSHR
SCHEMBL18784224 0.72 ALOX5AP (0.37) ALOX5APMAPTNAT1PTGES2NPC1
SCHEMBL18784214 0.72 CSNK2A1 (0.36) CSNK2A1ALOX5APMAPTNAT1PTGES2
SCHEMBL1649388 0.72 METAP2 (0.39) ALOX5APPLAUNAT1PTGES2TSHR

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP claimed