SCHEMBL1114969

SCHEMBL1114969

CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.36
PTGS1 P23219 4/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1115287 0.91 RECQL (0.38) PTGS2PTGS1ALOX5KMT2A
SCHEMBL1115143 0.91 PTGS2 (0.38) PTGS2PTGS1KMT2AMAPT
SCHEMBL1115189 0.89 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL1115172 0.88 PTGS2 (0.42) PTGS2PTGS1TP53HTT
SCHEMBL1114989 0.88 KMT2A (0.42) PTGS2PTGS1KMT2AMAPT
SCHEMBL1115111 0.86 PTGS2 (0.50) PTGS2PTGS1MAPT
SCHEMBL1115052 0.84 PTGS1 (0.45) PTGS2PTGS1KMT2AMAPTHTT
SCHEMBL1115174 0.84 HSD11B1 (0.39) PTGS2PTGS1KMT2A
SCHEMBL1115012 0.84 PTGS2 (0.39) PTGS2PTGS1KMT2AMAPT
SCHEMBL1115324 0.84 PTGS2 (0.43) PTGS2PTGS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
EP-1567508-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2011-02-02 EP disclosed
EP-1567508-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-12-10 EP disclosed
EP-1567508-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-31 EP disclosed
US-6849652-B1 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2005-02-01 US disclosed
WO-2004046121-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-03 WO disclosed