SCHEMBL9064798

SCHEMBL9064798

O=C(O)c1ccc2cc(F)cc(F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 2/20 0.47
MGAM O43451 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
KMO O15229 2/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MMP2 P08253 2/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
GAA P10253 1/20 0.37
HIF1A Q16665 1/20 0.36
GRM2 Q14416 1/20 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
SCHEMBL16227796 0.84 KDM4E (0.59) KDM4EKMT2AMGAMTDP1MAPT
SCHEMBL1975267 0.82 KDM4E (0.45) KDM4EKMT2AMGAMTDP1MAPT
SCHEMBL10875426 0.80 KDM4E (0.46) KDM4EKMT2AMGAMTDP1MAPT
SCHEMBL9907330 0.78 KDM4E (0.53) KDM4EKMT2AMGAMTDP1ALOX15
SCHEMBL4751890 0.78 KDM4E (0.66) KDM4EKMT2AMGAMTDP1ALOX15
SCHEMBL31385428 0.78 KDM4E (0.66) KDM4EKMT2AMGAMTDP1ALOX15
SCHEMBL1088781 0.75 KDM4E (0.67) KDM4EKMT2AMGAMTDP1MAPT
SCHEMBL2907723 0.75 IGFBP3 (0.43) KDM4EKMT2ATDP1MAPTRAB9A
SCHEMBL7174003 0.75 MGAM (0.44) KDM4EMGAMTDP1MAPTRAB9A
SCHEMBL16227887 0.74 KDM4E (0.56) KDM4EKMT2AMGAMTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8040990-A None JP disclosed
US-5565612-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
JP-H0840990-A SUBSTITUTED 2-CHLORO-3,4,5-TRIFLUOROBENZENE AND ITS PRODUCTION HOECHST AG 1996-02-13 JP disclosed