SCHEMBL4718987

SCHEMBL4718987

Cc1cc([N+](=O)[O-])ccc1Oc1cccc(NC(=O)C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
POLB P06746 1/20 0.52
KDR P35968 4/20 0.52
BRAF P15056 2/20 0.52
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F10 P00742 2/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47

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
SCHEMBL4686928 0.87 KMT2A (0.65) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL4686933 0.87 KMT2A (0.65) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL4721618 0.82 KDR (0.55) KMT2AMEN1KDRBRAFALDH1A1
SCHEMBL29083270 0.82 KDR (0.57) KDRBRAF
SCHEMBL4230036 0.79 KMT2A (0.71) KMT2AMEN1POLBBRAFNAMPT
SCHEMBL4227907 0.78 MEN1 (0.55) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL4786650 0.77 TBXA2R (0.61) KMT2AMEN1MAPT
SCHEMBL4683934 0.76 KMT2A (0.62) KMT2AMEN1POLBKDRALDH1A1
SCHEMBL4683941 0.76 KMT2A (0.62) KMT2AMEN1POLBKDRALDH1A1
SCHEMBL3507545 0.75 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370812-A Fused heterocyclic compound TAKEDA PHARMACEUTICAL (JP) 2009-02-18 CN disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed