SCHEMBL8749246

SCHEMBL8749246

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)C(C#N)C(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STAT3 P40763 1/20 0.40
UGCG Q16739 7/20 0.38
CYP3A4 P08684 6/20 0.38
FFAR1 O14842 4/20 0.37
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL7818647 0.94 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7819886 0.93 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820200 0.92 HPGD (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820064 0.91 MEN1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820318 0.89 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7810429 0.88 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820843 0.85 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7819875 0.83 FFAR1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820141 0.83 FFAR1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820296 0.82 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX

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
EP-0768085-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-16 EP disclosed
EP-0761215-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed