SCHEMBL11095017

SCHEMBL11095017

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 6/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 3/20 0.53
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH3A1 P30838 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43

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
SCHEMBL11097283 0.89 MAPT (0.58) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL11125265 0.84 MAPT (0.53) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL11093171 0.84 STK39 (0.51) MEN1KMT2ANPSR1CYP1A2CYP3A4
SCHEMBL13881915 0.77 LMNA (0.55) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL11096966 0.77 KMT2A (0.74) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL31090831 0.76 MAPT (0.60) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL10588184 0.76 MAPT (0.60) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL11096630 0.76 LMNA (0.54) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL8435213 0.75 SMN1; SMN2 (0.52) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL10662277 0.75 LMNA (0.61) MAPTTDP1LMNAMEN1KMT2A

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