SCHEMBL7717699

SCHEMBL7717699

O=[N+]([O-])c1[c]ccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
TTR P02766 1/20 0.57
PPOX P50336 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
FFAR1 O14842 5/20 0.45
EPAS1 Q99814 1/20 0.40
PDE7A Q13946 1/20 0.40
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 2/20 0.38
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
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7718076 0.86 TDP1 (0.44) MEN1TTRPPOXKMT2ATDP1
SCHEMBL7876673 0.83 MEN1 (0.57) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8694365 0.79 TDP1 (0.74) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10706908 0.79 TDP1 (0.74) MEN1TTRPPOXKMT2ATDP1
Nitrofluorfen SCHEMBL29370618 0.78 MEN1 (0.63) MEN1TTRPPOXKMT2ATDP1
Nitrofluorfen SCHEMBL8537296 0.78 MEN1 (0.63) MEN1TTRPPOXKMT2ATDP1
Nitrofluorfen SCHEMBL39312 0.78 MEN1 (0.63) MEN1TTRPPOXKMT2ATDP1
SCHEMBL30689708 0.78 TDP1 (0.73) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10540835 0.78 TDP1 (0.73) MEN1TTRPPOXKMT2ATDP1
Nitrofluorfen SCHEMBL11297390 0.77 MEN1 (0.62) MEN1TTRPPOXKMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed