SCHEMBL20077004

SCHEMBL20077004

C=C(Nc1ccc(F)c(NC(=C)C(C)(C)F)c1F)c1cc(C)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PDK1 Q15118 3/20 0.36
PDK2 Q15119 3/20 0.36
PDK3 Q15120 3/20 0.36
PDK4 Q16654 3/20 0.36
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ABCB11 O95342 1/20 0.32
NR1I3 Q14994 1/20 0.32
NPC1 O15118 2/20 0.32
ERN1 O75460 1/20 0.32
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20076738 0.89 DHODH (0.32) KDM4ERAB9ASMN1; SMN2TP53MAPT
SCHEMBL20076783 0.83 KDM4E (0.37) KDM4ERAB9ASMN1; SMN2TP53MAPT
SCHEMBL20076509 0.82 KDM4E (0.36) KDM4ERAB9ASMN1; SMN2TP53MAPT
SCHEMBL20076423 0.80 KDM4E (0.41) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL21019686 0.79 RAB9A (0.42) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL20076766 0.77 KDM4E (0.41) KDM4ERAB9ASMN1; SMN2TP53MAPT
SCHEMBL21020713 0.74 PTGS2 (0.41) KDM4ERAB9ASMN1; SMN2MAPTPPARG
SCHEMBL21021625 0.73 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2TP53MAPT
SCHEMBL21021523 0.72 RAB9A (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL24022917 0.72 ALDH1A1 (0.36) KDM4ERAB9ASMN1; SMN2MAPTNPC1

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed