SCHEMBL21020543

SCHEMBL21020543

C=C(Nc1ccc(Cl)c(-c2ccccc2F)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP28 Q96RU2 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPRC P08575 1/20 0.31
CCKBR P32239 1/20 0.31
SLC2A1 P11166 1/20 0.30
SLC9A1 P19634 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
SCHEMBL21021215 0.82 ALB (0.43) USP28
SCHEMBL21021819 0.78 MEN1 (0.39) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL21020662 0.78 MEN1 (0.31) NPC1RAB9AUSP28MEN1LMNA
SCHEMBL21020557 0.77 NPC1 (0.32) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL21022178 0.77 HTT (0.31) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL21020810 0.76 LMNA (0.36) NPC1RAB9AUSP28MEN1LMNA
SCHEMBL20076606 0.75 MEN1 (0.36) MEN1LMNAKMT2ASLC9A1
SCHEMBL21021608 0.75 RORC (0.34) MEN1KMT2A
SCHEMBL20076512 0.74 PIM1 (0.33) SLC9A1
SCHEMBL21021114 0.74

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