SCHEMBL21020809

SCHEMBL21020809

C=C(Nc1ccc(Cl)c(-c2ccc(F)c(N)c2F)c1)C1C(c2cc(C)cc(C)c2)C1(C)O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20076512 0.81 PIM1 (0.33)
SCHEMBL21020815 0.78 SLC9A1 (0.33)
SCHEMBL20076898 0.75 KMT2A (0.35) MEN1LMNAKMT2ANPC1HTT
SCHEMBL20076590 0.74 SLC9A1 (0.34)
SCHEMBL21020679 0.73 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL21020692 0.73 MEN1 (0.30) MEN1LMNAKMT2AALDH1A1GAA
SCHEMBL21021581 0.72 FADS1 (0.31) MEN1LMNAKMT2ANPC1HTT
SCHEMBL20076427 0.71 NPC1 (0.38) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL21022007 0.70 MEN1 (0.30) MEN1KMT2AALDH1A1MAPT
SCHEMBL20076729 0.70 SLC9A1 (0.44)

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed