SCHEMBL20076450

SCHEMBL20076450

C=Cc1cc(NC(=C)C2CC2(C)Cl)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
BACE1 P56817 1/20 0.31
RAB9A P51151 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
SCHEMBL21021640 0.87 RAB9A (0.34) ALDH1A1L3MBTL1EPHX2MEN1KMT2A
SCHEMBL20076908 0.86 BACE1 (0.38) ALDH1A1MEN1KMT2ANPSR1BACE1
SCHEMBL20076414 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1EPHX2MEN1KMT2A
SCHEMBL21021233 0.78 RAB9A (0.36) ALDH1A1L3MBTL1EPHX2MEN1KMT2A
SCHEMBL21021582 0.77 MEN1 (0.33) ALDH1A1EPHX2MEN1KMT2ABACE1
SCHEMBL20076458 0.76 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL21021632 0.76 RAB9A (0.39) ALDH1A1L3MBTL1EPHX2MEN1KMT2A
SCHEMBL20076575 0.75 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL21021326 0.74 MEN1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL21021633 0.74 RAB9A (0.43) ALDH1A1L3MBTL1EPHX2MEN1KMT2A

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