SCHEMBL11523490

SCHEMBL11523490

Cc1cc(C)cc(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
PDE7A Q13946 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
PTGES O14684 1/20 0.37
PKM P14618 1/20 0.37
DHFR P00374 1/20 0.37
TYMS P04818 1/20 0.37

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
SCHEMBL11520329 0.82 APP (0.56) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL11566254 0.81 KMO (0.48) APPMAPTMEN1KMT2AACHE
SCHEMBL11520999 0.80 APP (0.57) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL11521568 0.79 APP (0.53) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL11521948 0.79 APP (0.60) APPMAPTMEN1KMT2AALDH1A1
SCHEMBL7140685 0.76 MAPT (0.65) MAPTMEN1KMT2AACHEHSD17B10
SCHEMBL11521075 0.73 HSP90AA1 (0.46) APPMAPTMEN1KMT2ATSHR
SCHEMBL6577902 0.70 ACHE (0.75) MAPTMEN1KMT2AACHEHSD17B10
SCHEMBL11520089 0.68 HSP90AA1 (0.48) APPMAPTMEN1KMT2ATSHR
SCHEMBL4163474 0.68 MAPT (0.79) MAPTMEN1KMT2AACHEHSD17B10

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