SCHEMBL16768860

SCHEMBL16768860

CC1C=CC2=C(c3ccccc3C(=O)O)c3ccc(N)cc3OC2=C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ YWHAG P61981 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ FOLH1 Q04609 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
SCHEMBL8918334 0.88 CYP2C9 (0.34) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL13866571 0.88 POLB (0.39) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL19117713 0.88 CYP2C9 (0.34) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL12810686 0.88 CYP2C9 (0.39) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL16768865 0.84 KDM4E (0.36) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL22193121 0.77 HSD17B10 (0.47) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL19274347 0.75 KDM4E (0.31) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL27517452 0.75 POLB (0.45) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL14005740 0.74 HSD17B10 (0.35) CYP2C9USP2POLBMEN1HSP90AA1
SCHEMBL23961235 0.71 CYP2C9 (0.32) CYP2C9USP2POLBMEN1HSP90AA1

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-20150152469-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID THE UNIVERSITY OF TOKYO (JP) 2015-06-04 — — US disclosed
US-20150152469-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID THE UNIVERSITY OF TOKYO (JP) 2015-06-04 — — US disclosed
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