SCHEMBL21021819

SCHEMBL21021819

C=C(Nc1ccc(C)c(-c2c(F)cccc2F)c1)C1C(c2ccccc2)C1(C)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 4/20 0.36
HTT P42858 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
IL2 P60568 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IDH1 O75874 2/20 0.31
CNR1 P21554 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
SCHEMBL21021219 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL21020543 0.78 NPC1 (0.33) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL21022178 0.77 HTT (0.31) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL20076590 0.76 SLC9A1 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL21022270 0.75 SLC9A1 (0.38)
SCHEMBL21021086 0.75 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL20076442 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL21021239 0.75 MEN1 (0.31) MEN1KMT2AALDH1A1RECQL
SCHEMBL21021065 0.74 RAF1 (0.37) MAPTGAASLC1A3SLC1A2SLC1A1
SCHEMBL21020238 0.73

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