SCHEMBL8421920

SCHEMBL8421920

O=S(=O)(Nn1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.44
ALOX5 P09917 3/20 0.44
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
KDM1A O60341 1/20 0.41
NAT1 P18440 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 2/20 0.40
AURKA O14965 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL8423612 0.93 NPSR1 (0.41) PTGESALOX5NPSR1KDM1AALDH1A1
SCHEMBL8424009 0.87 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8423988 0.87 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8424177 0.87 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8423891 0.87 ALDH1A1 (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8422206 0.86 PTGES (0.42) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8422280 0.84 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8421700 0.84 PTGES (0.43) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8421861 0.84 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A
SCHEMBL8422345 0.84 PTGES (0.41) PTGESALOX5NPSR1LMNAKDM1A

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
US-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed