SCHEMBL20076513

SCHEMBL20076513

C=C(Nc1ccc(F)c(C)c1C)c1cc(C)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DHODH Q02127 7/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL21020826 0.88 MEN1 (0.43) MEN1KMT2AGAAGFERRAB9A
SCHEMBL20076380 0.83 MEN1 (0.35) MEN1KMT2AGAADHODHNPC1
SCHEMBL24022917 0.81 ALDH1A1 (0.36) MEN1KMT2AGAADHODHNPC1
SCHEMBL21020690 0.78 GAA (0.39) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL21020665 0.78 NPC1 (0.38) MEN1KMT2AGAADHODHNPC1
SCHEMBL21022034 0.77 ALDH1A1 (0.40) MEN1KMT2AGAANPC1RAB9A
SCHEMBL21020636 0.77 SMN1; SMN2 (0.46) MEN1KMT2ADHODHRAB9ASMN1; SMN2
SCHEMBL20076738 0.76 DHODH (0.32) MEN1KMT2AGAADHODHRAB9A
SCHEMBL21021603 0.75 ALDH1A1 (0.43) MEN1KMT2AGAAGFERRAB9A
SCHEMBL21021270 0.74 SMN1; SMN2 (0.44) KMT2AGAANPC1RAB9ASMN1; SMN2

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