SCHEMBL21630438

SCHEMBL21630438

N=C=O.O=C=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
NOS1 P29475 4/20 0.46
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 5/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOS3 P29474 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL62027 0.94 PLAU (0.52) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL1124777 0.89 CA12 (0.47) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL4266913 0.89 ALDH1A1 (0.51) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL4266917 0.89 ALDH1A1 (0.51) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL8163344 0.87 ALDH1A1 (0.54) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL27371884 0.84 PLAU (0.50) PLAUNOS1ALDH1A1ACHEHSD17B10
SCHEMBL11593921 0.84 HSPB1 (0.56) PLAUNOS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9557695 0.84 MAPT (0.51) PLAUNOS1TSHRCYP3A4ALDH1A1
SCHEMBL11221931 0.84 HPGD (0.58) PLAUNOS1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9357905 0.84 APP (0.55) PLAUALDH1A1SMN1; SMN2MEN1MAPT

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-2020022524-A1 CELLULOSE MONOLITH PRODUCTION METHOD, AND CELLULOSE MONOLITH OBTAINED BY SAID PRODUCTION METHOD 株式会社日本触媒 2020-01-30 WO disclosed