SCHEMBL21021640

SCHEMBL21021640

C=Cc1cc(NC(=C)C2CC2(C)Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
BACE1 P56817 1/20 0.32
GSTO1 P78417 1/20 0.32
LMNA P02545 1/20 0.31
EPHX2 P34913 2/20 0.30
EPHX1 P07099 1/20 0.30
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 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
SCHEMBL21021582 0.91 MEN1 (0.33) RAB9AMEN1KMT2ANPC1BACE1
SCHEMBL21021632 0.89 RAB9A (0.39) RAB9AMEN1KMT2ANPC1GSTO1
SCHEMBL21021233 0.88 RAB9A (0.36) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL20076450 0.87 ALDH1A1 (0.37) RAB9AMEN1KMT2ABACE1EPHX2
SCHEMBL20076908 0.86 BACE1 (0.38) RAB9AMEN1KMT2ANPC1BACE1
SCHEMBL20076414 0.82 ALDH1A1 (0.39) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL20076562 0.80 MEN1 (0.35) RAB9AMEN1KMT2ANPC1BACE1
SCHEMBL21021607 0.73 MEN1 (0.37) MEN1KMT2AGSTO1LMNAALDH1A1
SCHEMBL20076667 0.73 GSTO1 (0.31) MEN1KMT2AGSTO1LMNAALDH1A1
SCHEMBL20076718 0.72 ALDH1A1 (0.45) RAB9AMEN1KMT2ANPC1LMNA

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