SCHEMBL9768328

SCHEMBL9768328

O/N=C/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
OPRK1 P41145 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9768331 1.00 KDM4E (0.35) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9704756 0.82 KDM4E (0.36) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9704751 0.82 KDM4E (0.36) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL10569762 0.78 SRC (0.35) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9218250 0.76 GAA (0.33) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL7711320 0.76 TDP1 (0.41) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9704909 0.75 GAA (0.39) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9704898 0.75 GAA (0.39) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9768197 0.74 GAA (0.36) KDM4EKMT2AHTTNPSR1MEN1
SCHEMBL9768202 0.74 GAA (0.36) KDM4EKMT2AHTTNPSR1MEN1

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-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed