SCHEMBL8472124

SCHEMBL8472124

COc1ccc2c(c1F)CSc1c(C(F)F)nn(NS(=O)(=O)c3ccccc3)c1-2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.61
KAT6A Q92794 1/20 0.34
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
PTGS1 P23219 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP17A1 P05093 1/20 0.31
HTR6 P50406 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
MCOLN2 Q8IZK6 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
MCOLN1 Q9GZU1 1/20 0.31
KDM1A O60341 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
SCHEMBL8473278 0.79 PTGS2 (0.42) PTGS2MEN1KMT2APTGS1MAPT
SCHEMBL5070956 0.78 PTGS2 (0.77) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL8473205 0.76 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8933882 0.76 PTGS2 (1.00) PTGS2PTGS1ALDH1A1
SCHEMBL8917762 0.73 KAT6A (0.38) PTGS2KAT6AMEN1KMT2APOLB
SCHEMBL8689037 0.70 ACHE (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8916155 0.67 HTR6 (0.36) PTGS2MEN1KMT2APTGS1POLB
SCHEMBL5071832 0.67 PTGS2 (0.77) PTGS2PTGS1POLBALDH1A1MAPT
SCHEMBL8470424 0.67 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8693427 0.66 HTT (0.41) MEN1KMT2APOLBKDM4EALDH1A1

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-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed