SCHEMBL5711096

SCHEMBL5711096

Cc1cc(Oc2c[c]ncc2)ccc1NC(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.45
RAF1 P04049 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 2/20 0.39
EPHX2 P34913 2/20 0.39
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 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
SCHEMBL9958429 0.88 MET (0.58) METKMT2AMEN1POLBEPHX2
SCHEMBL5711089 0.88 KMT2A (0.46) METRAF1KMT2AMEN1MAPT
SCHEMBL4321417 0.83 MET (0.53) METRAF1KMT2AALDH1A1HPGD
SCHEMBL5711099 0.82 MET (0.48) METKMT2AALDH1A1HPGDMEN1
SCHEMBL4321413 0.81 MET (0.49) METRAF1KMT2AALDH1A1HPGD
SCHEMBL9957603 0.80 MEN1 (0.51) METKMT2AALDH1A1HPGDMEN1
SCHEMBL9958107 0.80 MEN1 (0.51) METKMT2AALDH1A1HPGDMEN1
SCHEMBL6031858 0.77 MET (0.60) METCYP3A4
SCHEMBL13861115 0.76 KDR (0.46) METTSHR
SCHEMBL5711073 0.75 RAB9A (0.52) METKMT2AALDH1A1MEN1MAPT

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