SCHEMBL4309347

SCHEMBL4309347

CC(Br)C(=O)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4303965 0.81 XIAP (0.46) ALDH1A1RAB9AMAPK1NPC1MEN1
SCHEMBL5591319 0.81 CXCL8 (0.47) MEN1POLBKMT2ALMNA
SCHEMBL9031190 0.74 ALDH1A1 (0.49) ALDH1A1RAB9AMAPK1NPC1MEN1
SCHEMBL4306974 0.74 ALDH1A1 (0.44) ALDH1A1RAB9AMAPK1NPC1MEN1
SCHEMBL381318 0.72 MEN1 (0.55) ALDH1A1RAB9ANPC1MEN1MAPT
SCHEMBL11557567 0.71 EPHX1 (0.59) ALDH1A1RAB9ANPC1MEN1POLB
SCHEMBL11537710 0.71 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL2094466 0.71 ALDH1A1 (0.51) ALDH1A1RAB9AMAPK1NPC1MEN1
SCHEMBL2094463 0.71 ALDH1A1 (0.47) ALDH1A1RAB9AMAPK1NPC1MEN1
SCHEMBL9837096 0.71 ALDH1A1 (0.47) ALDH1A1RAB9AMAPK1NPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 WO disclosed