SCHEMBL11524099

SCHEMBL11524099

Cc1ccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
KMO O15229 1/20 0.56
TSHR P16473 2/20 0.54
ACHE P22303 2/20 0.54
NFE2L2 Q16236 1/20 0.51
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PGR P06401 3/20 0.49
LMNA P02545 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
PKM P14618 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48

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
SCHEMBL2179103 0.90 APP (0.66) APPTSHRACHEMAPTRAB9A
SCHEMBL11523469 0.87 APP (0.61) APPTSHRNFE2L2MAPTRAB9A
SCHEMBL30469302 0.86 PKM (0.52) APPKMOTSHRACHEMAPT
SCHEMBL20557297 0.86 PKM (0.52) APPKMOTSHRACHEMAPT
SCHEMBL1036939 0.85 TSHR (0.63) KMOTSHRACHENFE2L2MAPT
SCHEMBL11566254 0.84 KMO (0.48) APPKMOTSHRACHENFE2L2
SCHEMBL7535965 0.81 MGAM (0.66) KMOTSHRACHENFE2L2MAPT
SCHEMBL8721286 0.79 APP (0.51) APPTSHRMAPTRAB9AMEN1
SCHEMBL6792255 0.79 ALDH1A1 (0.51) APPTSHRMAPTRAB9AMEN1
SCHEMBL14179953 0.79 HSD17B1 (0.54) APP

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