SCHEMBL20076766

SCHEMBL20076766

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 5/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 2/20 0.34
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
F10 P00742 1/20 0.32
ABCB11 O95342 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NR1I3 Q14994 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
SCHEMBL20076423 0.84 KDM4E (0.41) KDM4ELMNANPSR1ALDH1A1THRB
SCHEMBL21019686 0.83 RAB9A (0.42) KDM4ELMNANPSR1SMN1; SMN2RAB9A
SCHEMBL20076783 0.78 KDM4E (0.37) KDM4ELMNANPSR1ALDH1A1THRB
SCHEMBL20076509 0.77 KDM4E (0.36) KDM4ELMNANPSR1ALDH1A1THRB
SCHEMBL20077004 0.77 KDM4E (0.36) KDM4ELMNANPSR1ALDH1A1THRB
SCHEMBL21021625 0.76 RAB9A (0.41) KDM4ELMNAALDH1A1THRBSMN1; SMN2
SCHEMBL21021523 0.76 RAB9A (0.40) KDM4ENPSR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21020713 0.72 PTGS2 (0.41) KDM4ELMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL21022158 0.71 RORC (0.47) KDM4ELMNAALDH1A1THRBSMN1; SMN2
SCHEMBL21020666 0.71 F10 (0.47) LMNASMN1; SMN2RAB9ANPC1KMT2A

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