SCHEMBL21021815

SCHEMBL21021815

C/C=C(/Nc1ccc(F)c(C(=O)Nc2ccc(C#N)cc2F)c1)C1C(c2cc(C)c(C)c(Cl)c2)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GPR6 P46095 2/20 0.36
WDR5 P61964 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
GRM5 P41594 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 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
SCHEMBL18146109 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146113 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146107 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146774 0.74 KMT2A (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146772 0.74 KMT2A (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146777 0.74 KMT2A (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146708 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146706 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL18146705 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL21021226 0.72 ALDH1A1 (0.32) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT

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