SCHEMBL3454304

SCHEMBL3454304

CC([C]=O)c1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ TP53 P04637 6/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ UTRN P46939 6/20 0.55
▸ MAOA P21397 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HTR2B P41595 1/20 0.49
▸ PTPN2 P17706 2/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ PTPN5 P54829 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL3454300 0.87 MAOA (0.68) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL2739327 0.85 MAPT (0.76) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL12327016 0.83 RAB9A (0.64) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL3454306 0.82 MAPT (0.56) MAPTTP53KDM4EALDH1A1RAB9A
Flunoxaprofen SCHEMBL2728776 0.81 MAOA (0.70) MAPTTP53KDM4EALDH1A1RAB9A
Flunoxaprofen SCHEMBL29612240 0.81 MAOA (0.78) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL12608957 0.81 MAOA (0.67) MAPTTP53KDM4EALDH1A1RAB9A
Flunoxaprofen SCHEMBL25195 0.81 MAOA (0.78) MAPTTP53KDM4EALDH1A1RAB9A
Flunoxaprofen SCHEMBL25196 0.81 MAOA (0.78) MAPTTP53KDM4EALDH1A1RAB9A
SCHEMBL13937241 0.81 KDM4E (0.58) MAPTTP53KDM4EALDH1A1RAB9A

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
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 — — WO claimed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 — — WO claimed
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