SCHEMBL20076750

SCHEMBL20076750

C=C(Nc1cc(F)c(N)c(F)c1)c1cc(NC(=C)C2C(c3ccc(C)c(C)c3)C2(C)C)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.35
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
HSP90AA1 P07900 1/20 0.30
G6PD P11413 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
CCR6 P51684 1/20 0.30
MCL1 Q07820 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20076622 0.81 SLC9A1 (0.35) SLC9A1HPGD
SCHEMBL20076601 0.80 LMNA (0.34) SLC9A1MEN1MAPTKMT2ANPSR1
SCHEMBL21021581 0.80 FADS1 (0.31) SLC9A1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21021521 0.76 KMT2A (0.33) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL20076565 0.76
SCHEMBL23465560 0.76 NPSR1 (0.34) SLC9A1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21020806 0.76 TP53 (0.30)
SCHEMBL20076828 0.75 SLC9A1 (0.37) SLC9A1
SCHEMBL21021227 0.75 MAPT (0.35) SLC9A1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21020721 0.75 SLC9A1 (0.36) SLC9A1MEN1ALDH1A1MAPTKMT2A

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed