SCHEMBL11566254

SCHEMBL11566254

Cc1ccc(Sc2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
TSHR P16473 2/20 0.44
ACHE P22303 1/20 0.44
NFE2L2 Q16236 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11521075 0.88 HSP90AA1 (0.46) TSHRNFE2L2MAPTMEN1RAB9A
SCHEMBL11524099 0.84 APP (0.59) KMOTSHRACHENFE2L2MAPT
SCHEMBL11520329 0.81 APP (0.56) MAPTMEN1KMT2AAPPGAA
SCHEMBL11523490 0.81 APP (0.47) TSHRACHEMAPTMEN1KMT2A
SCHEMBL2179103 0.78 APP (0.66) TSHRACHEMAPTMEN1RAB9A
SCHEMBL30469302 0.77 PKM (0.52) KMOTSHRACHEMAPTMEN1
SCHEMBL20557297 0.77 PKM (0.52) KMOTSHRACHEMAPTMEN1
SCHEMBL11520089 0.76 HSP90AA1 (0.48) TSHRMAPTMEN1KMT2AMMP13
SCHEMBL11521948 0.76 APP (0.60) MAPTMEN1KMT2AMMP2MMP9
SCHEMBL20591230 0.75 HSP90AA1 (0.61) TSHRACHENFE2L2MAPTMEN1

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