SCHEMBL5809204

SCHEMBL5809204

CC(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA7 P43166 3/20 0.43

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
SCHEMBL5820791 0.93 RAB9A (0.62) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6763989 0.93 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6763984 0.93 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6695821 0.83 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL927020 0.83 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL10045756 0.83 MAPT (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6769183 0.81 ALDH1A1 (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL6769185 0.81 ALDH1A1 (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL2647715 0.81 MEN1 (0.49) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL2647713 0.81 MEN1 (0.49) MAPTMEN1CYP1A2CYP2C9CYP2C19

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-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed