SCHEMBL7889115

SCHEMBL7889115

O=c1ccn(Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.51
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 3/20 0.49
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.44
AR P10275 1/20 0.43

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
SCHEMBL11267018 0.88 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRCA12CA9
SCHEMBL7896003 0.78 ALDH1A1 (0.60) ALDH1A1TSHRCA12CA9CA2
SCHEMBL11705310 0.76 CYP11B1 (0.56) ALDH1A1POLB
SCHEMBL2783969 0.75 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRCA12CA9
SCHEMBL7114927 0.75 ACHE (0.56) SMN1; SMN2ALDH1A1TSHRCA12CA9
SCHEMBL12511057 0.74 ACHE (0.74) SMN1; SMN2ALDH1A1TSHRACHEHTT
SCHEMBL3202573 0.73 ALDH1A1 (0.72) ALDH1A1TSHRACHEHTTHPGD
SCHEMBL28663777 0.73 GSK3B (0.53) ALDH1A1TSHRCA12CA9CA2
SCHEMBL4047966 0.73 TYR (0.67) ALDH1A1TSHRCA12CA9CA2
SCHEMBL21634376 0.73 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRCA12CA9

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-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed