SCHEMBL21020712

SCHEMBL21020712

C=C(Nc1ccc(C)cc1C#N)c1cc(NC(=C)C2C(c3ccc(C)c(C)c3)C2(C)O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21022202 0.81 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL21021163 0.79 CYP2C9 (0.37) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL21020806 0.76 TP53 (0.30)
SCHEMBL21022257 0.75 NPC1 (0.31) GAAMEN1MAPTKMT2A
SCHEMBL20076565 0.74
SCHEMBL21019715 0.72 MEN1 (0.33) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL21020692 0.71 MEN1 (0.30) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL21022231 0.69 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL20076601 0.69 LMNA (0.34) MEN1MAPTKMT2ANPSR1
SCHEMBL21021603 0.69 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAMEN1

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