SCHEMBL8938801

SCHEMBL8938801

COC(=O)C(C)Oc1ccc(Nc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FBP1 P09467 3/20 0.39
MAPK1 P28482 2/20 0.37
KDR P35968 2/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
POLB P06746 1/20 0.35
AKR1B1 P15121 2/20 0.35
AKR1C4 P17516 2/20 0.35
AKR1C1 Q04828 2/20 0.35
EPAS1 Q99814 1/20 0.35
AKR1B10 O60218 1/20 0.35
ALDH3A1 P30838 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL9138033 0.87 MEN1 (0.46) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8938831 0.86 MEN1 (0.38) MEN1KMT2AMAPK1MAPTL3MBTL1
SCHEMBL9194369 0.86 TDP1 (0.46) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9194374 0.86 TDP1 (0.46) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9132855 0.84 MEN1 (0.44) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9134808 0.82 MEN1 (0.44) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9134814 0.82 MEN1 (0.44) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9133362 0.82 TDP1 (0.42) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10987548 0.81 TDP1 (0.48) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9572382 0.79 MAPK1 (0.42) MEN1KMT2AMAPK1MAPTL3MBTL1

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
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed