SCHEMBL9770890

SCHEMBL9770890

O=C(NSc1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 7/20 0.56
GAA P10253 6/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PPIA P62937 1/20 0.54
CTSD P07339 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
ALPL P05186 2/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HTT P42858 2/20 0.49
ALPG P10696 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALPI P09923 1/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 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
SCHEMBL27318227 0.76 MAPT (0.57) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL28451182 0.76 ALDH1A1 (0.71) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL9770834 0.76 MEN1 (0.55) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL27437593 0.75 MAPT (0.56) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL9763219 0.74 CTSD (0.70) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL11298067 0.73 ALDH1A1 (0.72) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL8095620 0.72 ALDH1A1 (0.70) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL6971514 0.72 ALDH1A1 (0.76) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL296470 0.72 ALDH1A1 (0.76) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL31621278 0.72 ALDH1A1 (0.76) ALDH1A1MAPTGAAKDM4EMEN1

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-4987135-A Leukemia, melanoma ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-22 US claimed