SCHEMBL31056280

SCHEMBL31056280

Cc1cc(C)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 6/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7385881 1.00 MAPT (0.48) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL9721947 0.89 NOS3 (0.55) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL15972473 0.85 MAPT (0.41) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL31569520 0.81 MAPT (0.45) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL5446122 0.81 MAPT (0.45) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL803098 0.81 ALDH1A1 (0.47) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL28295982 0.81 MAPT (0.46) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL8033158 0.80 ALDH1A1 (0.43) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL28307339 0.79 MAPT (0.38) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL12113957 0.79 POLB (0.41) MAPTLMNAHTTKDM4EALDH1A1

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed