SCHEMBL11256355

SCHEMBL11256355

COc1cc(CC(O)[N+](=O)[O-])ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.44
LDHA P00338 1/20 0.43
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 2/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NR3C1 P04150 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MMP1 P03956 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6573972 0.87 LDHA (0.58) ALDH1A1HTTLDHATTRFOS
SCHEMBL11595544 0.74 CA2 (0.39) GAAMEN1MAPTKMT2A
SCHEMBL3315101 0.74 ALDH1A1 (0.61) ALDH1A1HTTTDP1LDHACYP3A4
SCHEMBL1094491 0.74 LDHA (0.56) ALDH1A1TDP1LDHAHSD17B10MEN1
SCHEMBL1094489 0.74 LDHA (0.56) ALDH1A1TDP1LDHAHSD17B10MEN1
SCHEMBL4096678 0.71 ALDH1A1 (0.71) ALDH1A1HTTTDP1CYP3A4TSHR
SCHEMBL31045431 0.71 ALDH1A1 (0.71) ALDH1A1HTTTDP1CYP3A4TSHR
SCHEMBL27952504 0.71 TSHR (0.57) ALDH1A1HTTTDP1TSHRLMNA
SCHEMBL30541678 0.70 ALDH1A1 (1.00) ALDH1A1HTTTDP1CYP3A4TSHR
SCHEMBL273470 0.70 ALDH1A1 (1.00) ALDH1A1HTTTDP1CYP3A4TSHR

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-4361516-A N-Monosubstituted indoanilines SOCIETE ANONYME DITE: L'OREAL (FR) 1982-11-30 US disclosed