SCHEMBL9751315

SCHEMBL9751315

O=C(NN1CCCCC1)c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX1 P51575 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 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
SCHEMBL9751382 0.88 GAA (0.41) KMT2AGAAALDH1A1HTT
SCHEMBL9768748 0.84 TDP1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10359612 0.83 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10780026 0.83 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10802363 0.83 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9751497 0.82 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9751309 0.82 TDP1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10359537 0.82 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10802772 0.82 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9751534 0.82 TDP1 (0.52) MEN1KMT2ATDP1TTRPPOX

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