SCHEMBL9519992

SCHEMBL9519992

Cc1cc(=O)n(-c2cc(C(=O)OC(C)C)c(Br)cc2F)c(=O)n1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9521572 0.87 LMNA (0.34) PTPN11ALDH1A1L3MBTL1
SCHEMBL9522911 0.87 NPC1 (0.31) ALDH1A1
SCHEMBL9521073 0.85 NOTUM (0.35)
SCHEMBL7888767 0.78 MEN1 (0.32) ALDH1A1
SCHEMBL10985357 0.77 TSHR (0.35) PTPN11L3MBTL1
SCHEMBL9523542 0.76 MAPT (0.35) ALDH1A1
SCHEMBL9494830 0.74 NOTUM (0.38) ALDH1A1L3MBTL1
SCHEMBL9519617 0.74 LMNA (0.34) ALDH1A1
SCHEMBL9468954 0.74 MAPT (0.35) ALDH1A1
SCHEMBL10410672 0.73 TDP1 (0.41) ALDH1A1L3MBTL1

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
EP-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed