SCHEMBL11097283

SCHEMBL11097283

CN(C)C(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 1/20 0.57
LMNA P02545 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HPGD P15428 2/20 0.48
ALDH3A1 P30838 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45

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
SCHEMBL11095017 0.89 MAPT (0.56) MAPTTDP1LMNASMN1; SMN2POLB
SCHEMBL11125265 0.89 MAPT (0.53) MAPTTDP1TP53LMNASMN1; SMN2
SCHEMBL11097485 0.83 TP53 (0.62) TP53MEN1KMT2ANPSR1
SCHEMBL11572993 0.81 TP53 (0.77) TP53SMN1; SMN2POLBMEN1KMT2A
Acifluorfen SCHEMBL7579211 0.81 TDP1 (0.72) MAPTTDP1TP53LMNAPOLB
SCHEMBL13881915 0.80 LMNA (0.55) MAPTTDP1LMNASMN1; SMN2POLB
Oxyfluorfen SCHEMBL7577850 0.79 MEN1 (0.53) MAPTTDP1TP53LMNASMN1; SMN2
SCHEMBL31090831 0.78 MAPT (0.60) MAPTTDP1LMNASMN1; SMN2POLB
SCHEMBL10588184 0.78 MAPT (0.60) MAPTTDP1LMNASMN1; SMN2POLB
SCHEMBL11096630 0.78 LMNA (0.54) MAPTTDP1LMNASMN1; SMN2POLB

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
EP-0027965-B1 SUBSTITUTED UREAS, THEIR PREPARATION AND USE AS HERBICIDES, AND COMPOSITIONS THEREFOR BASF Aktiengesellschaft (DE) 1984-06-13 EP claimed