SCHEMBL9751534

SCHEMBL9751534

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
P2RX1 P51575 2/20 0.39
TLR7 Q9NYK1 3/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TLR8 Q9NR97 3/20 0.36
SCN9A Q15858 1/20 0.35
FLT1 P17948 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
SCHEMBL9751619 0.93 TDP1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768748 0.89 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10802363 0.88 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10785506 0.87 SCN9A (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751482 0.87 TLR7 (0.41) TLR7CNR1CNR2TLR8SCN9A
SCHEMBL10359537 0.87 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10802772 0.87 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673745 0.86 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10748703 0.86 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10667556 0.86 TDP1 (0.51) 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