SCHEMBL11015697

SCHEMBL11015697

O=[N+]([O-])c1c(Oc2ccc(C(F)(F)F)cc2Cl)ccc2nsnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.43
ESRRA P11474 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
EPAS1 Q99814 4/20 0.38
FFAR1 O14842 3/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VEGFA P15692 1/20 0.37
ARNT P27540 2/20 0.37
TXNRD1 Q16881 2/20 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
SCHEMBL11014495 0.83 ARNT (0.54) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9378425 0.76 TDP1 (0.50) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11012450 0.76 MEN1 (0.45) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11010570 0.74 FFAR1 (0.48) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8842678 0.74 TDP1 (0.47) MEN1KMT2ATTRPPOXTDP1
SCHEMBL30539397 0.74 TDP1 (0.64) MEN1KMT2ATTRPPOXTDP1
SCHEMBL13254376 0.74 TDP1 (0.55) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8304645 0.74 TDP1 (0.64) MEN1KMT2ATTRPPOXTDP1
SCHEMBL9863812 0.74 TDP1 (0.64) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10769585 0.73 TDP1 (0.60) MEN1KMT2ATTRPPOXTDP1

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
US-4544400-A HERBICIDES ZOECON CORPORATION (US) 1985-10-01 US disclosed