SCHEMBL5711089

SCHEMBL5711089

O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2c[c]ncc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MET P08581 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
STK39 Q9UEW8 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9957603 0.91 MEN1 (0.51) KMT2AMEN1METGAANPC1
SCHEMBL5711096 0.88 MET (0.45) KMT2AMEN1METPOLBGAA
SCHEMBL9958429 0.88 MET (0.58) KMT2AMEN1METCA1CA2
SCHEMBL4335620 0.83 MET (0.53) KMT2AMEN1METCA1CA2
SCHEMBL4335613 0.81 MET (0.49) KMT2AMEN1METCA1CA2
SCHEMBL9958107 0.80 MEN1 (0.51) KMT2AMEN1METGAARAB9A
SCHEMBL5711099 0.77 MET (0.48) KMT2AMEN1METPOLBNPC1
SCHEMBL6031858 0.77 MET (0.60) MET
SCHEMBL13861047 0.76 FAAH (0.46) KMT2AMEN1MET
SCHEMBL4328418 0.74 MEN1 (0.52) KMT2AMEN1METCA1CA2

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-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed