SCHEMBL21020536

SCHEMBL21020536

C=C(Nc1ccc(C)c(-c2ccc(C)cc2)c1)C1C(c2ccc(C)cc2)C1(O)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.40
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ABL1 P00519 2/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HSPB1 P04792 1/20 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
SCHEMBL21021202 0.90 KMT2A (0.39) MAPK14HTTMEN1ALDH1A1RECQL
SCHEMBL21020555 0.86 HTT (0.34) HTTMEN1ALDH1A1RECQLKMT2A
SCHEMBL21021225 0.81 HTT (0.38) MAPK14HTTMEN1ALDH1A1RECQL
SCHEMBL21020626 0.78 MAPK14 (0.37) MAPK14HTTMEN1ALDH1A1RECQL
SCHEMBL21021085 0.78 PTGS1 (0.31)
SCHEMBL21021207 0.77 MEN1 (0.37) MAPK14HTTMEN1ALDH1A1RECQL
SCHEMBL21021307 0.75 MEN1 (0.42) HTTMEN1ALDH1A1KMT2ALMNA
SCHEMBL21020810 0.74 LMNA (0.36) HTTMEN1KMT2ALMNAHPGD
SCHEMBL21022136 0.74 ALDH1A1 (0.31) MEN1ALDH1A1RECQLKMT2A
SCHEMBL21022180 0.74 NPC1 (0.33) MEN1ALDH1A1RECQLKMT2ALMNA

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