SCHEMBL367091

SCHEMBL367091

COC(=O)c1c2ccccc2n2cc(C(=O)C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
NR4A2 P43354 3/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
ALDH1A1 P00352 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MLYCD O95822 1/20 0.39

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
SCHEMBL364927 0.87 SRC (0.51) KMT2ANR4A2KDM4EMEN1SRC
SCHEMBL366000 0.85 ELANE (0.47) NR4A2HTTALDH1A1F2PLAU
SCHEMBL364339 0.84 KMT2A (0.49) KMT2ANR4A2KDM4EMEN1SRC
SCHEMBL364281 0.84 NR4A2 (0.48) KMT2ANR4A2KDM4EMEN1SRC
SCHEMBL365912 0.84 CES1 (0.45) HTTKDM4ESRCEGFRALDH1A1
SCHEMBL365635 0.83 IDO1 (0.44) KMT2AHTTKDM4EMEN1SRC
SCHEMBL365549 0.82 ALDH1A1 (0.47) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL364265 0.82 NR4A2 (0.46) KMT2ANR4A2KDM4EMEN1SRC
SCHEMBL364450 0.82 KMT2A (0.47) KMT2ANR4A2KDM4EMEN1SRC
SCHEMBL366338 0.81 NR4A2 (0.45) KMT2ANR4A2KDM4EMEN1SRC

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed