SCHEMBL2785705

SCHEMBL2785705

O=C(NSc1ccccc1[N+](=O)[O-])Nc1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 2/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ3 P48549 1/20 0.37

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
SCHEMBL2786425 0.82 HIF1A (0.46) TP53SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2788818 0.81 TP53 (0.51) TP53SMN1; SMN2MAPTKDM4EHIF1A
SCHEMBL2785576 0.81 SMN1; SMN2 (0.48) TP53SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL2784919 0.81 SMN1; SMN2 (0.56) TP53SMN1; SMN2MAPTGAAHIF1A
SCHEMBL2784837 0.78 EPHX2 (0.52) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2785316 0.78 TP53 (0.52) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2788190 0.75 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTKDM4EHIF1A
SCHEMBL2784404 0.75 TP53 (0.55) TP53SMN1; SMN2MAPTKMT2AHIF1A
SCHEMBL2785768 0.74 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTKDM4EHIF1A
SCHEMBL2787195 0.74 TP53 (0.63) TP53SMN1; SMN2MAPTKMT2AHIF1A

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed