SCHEMBL1407252

SCHEMBL1407252

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3cc(F)c(C)c(F)c3F)ccc2n1-c1ccc(N(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL334049 0.91 TP53 (0.42) TP53MAPTTHRBMEN1KMT2A
SCHEMBL334048 0.84 ALOX5 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL334022 0.84 MEN1 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333747 0.84 MEN1 (0.43) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333921 0.83 PTGS2 (0.50) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333584 0.82 PTGES (0.49) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333739 0.81 KMT2A (0.62) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL335074 0.79 TP53 (0.44) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333628 0.79 MEN1 (0.42) TP53MAPTTHRBMEN1KMT2A
SCHEMBL333844 0.78 MEN1 (0.45) TP53MAPTTHRBMEN1KMT2A

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
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed