SCHEMBL21022201

SCHEMBL21022201

C=C(Nc1c(F)cccc1F)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 5/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 4/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21022107 0.93 MEN1 (0.35) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021274 0.86 HTT (0.36) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21022022 0.86 MEN1 (0.32) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021239 0.85 MEN1 (0.31) MEN1KMT2AALDH1A1RECQL
SCHEMBL21021736 0.83 KMT2A (0.38) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21021436 0.83 HTT (0.37) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21020566 0.82 MEN1 (0.32) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18146180 0.82 KMT2A (0.50) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18160375 0.82 KMT2A (0.50) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL18146177 0.82 KMT2A (0.50) MEN1KMT2AALDH1A1RECQLLMNA

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