SCHEMBL21021233

SCHEMBL21021233

C=C(Nc1ccc(Cl)c(C=O)c1)C1CC1(C)Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21021640 0.88 RAB9A (0.34) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL20076414 0.81 ALDH1A1 (0.39) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL21021582 0.79 MEN1 (0.33) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL20076562 0.79 MEN1 (0.35) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL20076450 0.78 ALDH1A1 (0.37) RAB9AMEN1KMT2AEPHX2L3MBTL1
SCHEMBL21021632 0.77 RAB9A (0.39) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL20076908 0.77 BACE1 (0.38) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21021465 0.73 MEN1 (0.34) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL21021633 0.73 RAB9A (0.43) RAB9ANPC1MEN1KMT2AEPHX2
SCHEMBL21021227 0.72 MAPT (0.35) RAB9ANPC1MEN1KMT2ANFKB1

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