SCHEMBL6682151

SCHEMBL6682151

COc1ccc(-n2nc(OCC(F)F)nc2-c2ccc(O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
MALT1 Q9UDY8 9/20 0.38
OXTR P30559 3/20 0.36
AVPR1A P37288 3/20 0.36
AVPR2 P30518 2/20 0.36
FYN P06241 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL6686662 0.87 PTGS1 (0.47) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6682869 0.85 PTGS1 (0.65) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL5150452 0.80 FYN (0.41) PTGS1PTGS2OXTRAVPR1AFYN
SCHEMBL6680327 0.79 PTGS1 (0.45) PTGS1PTGS2OXTRAVPR1AAVPR2
SCHEMBL6687338 0.78 PTGS1 (0.42) PTGS1PTGS2OXTRAVPR1AAVPR2
SCHEMBL6687276 0.75 L3MBTL1 (0.42) PTGS1PTGS2FYNMEN1KMT2A
SCHEMBL6132303 0.75 PTGS2 (0.81) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6689504 0.74 PTGS1 (0.49) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6132556 0.72 PTGS2 (0.53) PTGS1PTGS2MALT1OXTRAVPR1A
SCHEMBL6681239 0.72 PTGS1 (0.64) PTGS1PTGS2MALT1OXTRAVPR1A

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
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed