SCHEMBL27632292

SCHEMBL27632292

COc1ccc(N(F)F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.38
PKM P14618 1/20 0.36
CYP19A1 P11511 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.36
TLR9 Q9NR96 1/20 0.35
VCP P55072 1/20 0.35

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
SCHEMBL27334604 0.90 TDP1 (0.44) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL27665453 0.77 TUBB1 (0.35) KDM4EHTTLMNA
SCHEMBL29396391 0.77 TDP1 (0.62) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL1179747 0.77 TDP1 (0.62) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL14553753 0.77 TDP1 (0.50) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL16738853 0.75 TDP1 (0.49) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL30673293 0.75 TDP1 (0.49) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL27759581 0.74 TUBB1 (0.33) POLBHTTLMNA
SCHEMBL7033341 0.74 ALDH1A1 (0.42) TDP1L3MBTL1ALDH1A1CYP19A1MAPT
SCHEMBL11016571 0.73 RAB9A (0.34) KDM4EPOLBMEN1KMT2AALDH1A1

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
CN-1798730-A Carbonylamino-substituted acyl phenyl urea derivatives, process for their preparation and their use AVENTIS PHARMA GMBH (DE) 2006-07-05 CN disclosed
CN-1768054-A Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA SA (FR) 2006-05-03 CN disclosed