SCHEMBL20076953

SCHEMBL20076953

C=C(Nc1c(F)ccc(C)c1F)c1cc(NC(=C)C2CC2(C)Cl)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL20076709 0.83
SCHEMBL20076619 0.81 BRAF (0.32) ALDH1A1
SCHEMBL20076711 0.81 BACE1 (0.32)
SCHEMBL20076551 0.81 BACE1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20076719 0.77 BRAF (0.31) ALDH1A1
SCHEMBL20076743 0.77 RAB9A (0.30) RAB9A
SCHEMBL21022030 0.76 BACE1 (0.33)
SCHEMBL20076993 0.74
SCHEMBL21022025 0.73 BACE1 (0.33)
SCHEMBL20076908 0.72 BACE1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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