SCHEMBL11522136

SCHEMBL11522136

O=[N+]([O-])c1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 2/20 0.46
ACKR3 P25106 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRC P08575 1/20 0.45
GUSB P08236 1/20 0.44
ELANE P08246 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MGAM O43451 1/20 0.43

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
SCHEMBL6797845 0.84 NPC1 (0.54) MEN1KMT2AMAPTNPC1POLB
SCHEMBL11523469 0.84 APP (0.61) APPMEN1KMT2AMAPTNPC1
SCHEMBL2179103 0.84 APP (0.66) APPMEN1KMT2AMAPTNPC1
SCHEMBL11523983 0.79 CA12 (0.51) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL14190047 0.76 CA12 (0.50) CYP1A2CYP2C19
SCHEMBL13134886 0.76 CA12 (0.48) KMT2AMAPTNPC1POLBCYP3A4
SCHEMBL11524099 0.76 APP (0.59) APPMEN1KMT2AMAPTNPC1
SCHEMBL7919533 0.74 HSD17B1 (0.54) APPMEN1KMT2AMAPTNPC1
SCHEMBL16990732 0.74 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL20557297 0.74 PKM (0.52) APPMEN1KMT2AMAPTNPC1

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
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 US disclosed