SCHEMBL6970840

SCHEMBL6970840

NS(=O)(=O)c1ccc(-c2oc3ccc(F)cc3c(=O)c2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 8/20 0.54
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDO2 P48775 1/20 0.41
MAP2K7 O14733 1/20 0.41
MAP2K4 P45985 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL6976446 0.86 PTGS2 (0.69) PTGS2PTGS1MEN1LMNAKMT2A
SCHEMBL6980615 0.83 PTGS2 (0.68) PTGS2PTGS1MEN1KMT2ACA12
SCHEMBL6976803 0.82 PTGS2 (0.60) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL6978176 0.82 KDM4E (0.52) PTGS2PTGS1MEN1LMNAKMT2A
SCHEMBL6975423 0.82 PTGS2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL6981287 0.82 PTGS2 (0.60) PTGS2PTGS1MEN1LMNAKMT2A
SCHEMBL6978811 0.82 PTGS1 (0.59) PTGS2PTGS1MEN1LMNAKMT2A
SCHEMBL6979214 0.80 PTGS2 (0.55) PTGS2PTGS1MEN1LMNAKMT2A
SCHEMBL6977374 0.80 GABRP (0.41) PTGS2MEN1LMNAKMT2AGABRP
SCHEMBL6975328 0.79 PTGS2 (0.66) PTGS2PTGS1MAOAMAOB

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-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed