SCHEMBL9751619

SCHEMBL9751619

CN(C)NC(=O)c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
P2RX1 P51575 2/20 0.42
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KIF11 P52732 2/20 0.36
CNR1 P21554 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
SCHEMBL9751534 0.93 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10667110 0.85 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10666985 0.84 MEN1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10668736 0.83 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751325 0.82 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768748 0.82 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10359539 0.80 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10785506 0.80 SCN9A (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10802363 0.80 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10359537 0.79 TDP1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed