SCHEMBL7676293

SCHEMBL7676293

O=c1n(-c2ccc(OC(F)(F)C(F)F)cc2)ccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.38
HSPB1 P04792 1/20 0.38
ENPP2 Q13822 1/20 0.38
MPI P34949 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37
HTR1A P08908 1/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
SCN2A Q99250 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1258016 0.88 MAPT (0.43) HSPB1ENPP2MPIPHOSPHO1MAPT
SCHEMBL8611079 0.84 HSPB1 (0.50) CETPHSPB1MAPTMEN1KMT2A
SCHEMBL7687404 0.83 CFTR (0.47) ENPP2HTR1AKMT2ASMN1; SMN2PKM
SCHEMBL7678541 0.81 HCRTR1 (0.35) CETPMAPTMEN1KMT2APOLB
SCHEMBL10933272 0.74 HSPB1 (0.46) CETPHSPB1MAPTMEN1KMT2A
SCHEMBL1360933 0.74 HSD17B10 (0.55) CETPHSPB1MAPTMEN1KMT2A
SCHEMBL10931692 0.74 HSPB1 (0.46) CETPHSPB1MAPTMEN1KMT2A
SCHEMBL1259763 0.71 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8111166 0.70 TRPV1 (0.37) MAPTPOLBNPSR1HTTRAB9A
SCHEMBL693976 0.69 HSPB1 (0.55) HSPB1MAPTMEN1KMT2ASMN1; SMN2

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-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed