SCHEMBL28809669

SCHEMBL28809669

O=C(NCl)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
HTT P42858 2/20 0.73
RAB9A P51151 1/20 0.73
ALDH1A1 P00352 1/20 0.71
KDR P35968 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 2/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
NTRK1 P04629 1/20 0.60
CDK19 Q9BWU1 1/20 0.60
GRIK1 P39086 2/20 0.59

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
SCHEMBL5597699 0.90 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30101230 0.90 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL4548162 0.88 KMT2A (0.87) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL17664317 0.85 KMT2A (0.81) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30069239 0.85 MAPT (1.00) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL17609423 0.85 MAPT (1.00) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL26416486 0.85 MAPT (0.76) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL14459434 0.84 KMT2A (0.74) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL966454 0.83 ALDH1A1 (1.00) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL2632866 0.83 MAPT (0.73) MAPTKMT2AMEN1HTTRAB9A

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
CN-103570723-A Pyrazolopyrimidine derivative, its preparation method, and its use in preparation of medicines UNIV SICHUAN 2014-02-12 CN disclosed