SCHEMBL7900461

SCHEMBL7900461

[O-][N+](=Cc1sccc1O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 7/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
G6PD P11413 3/20 0.41
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.33
CTSB P07858 1/20 0.31
BACE1 P56817 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7898921 0.76 L3MBTL1 (0.33) ALDH1A1MAPTALOX15RECQLRAB9A
SCHEMBL4811865 0.73 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL12416719 0.73 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL5321068 0.73 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL29387549 0.72 ALDH1A1 (0.60) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL7897474 0.71 ALDH1A1 (0.50) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL7900364 0.70 MEN1 (0.30) ALDH1A1MAPTALOX15RECQLHSD17B10
SCHEMBL11402373 0.70 ALDH1A1 (0.53) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL16154637 0.69 ALDH1A1 (0.67) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL7889050 0.69 ALDH1A1 (0.67) ALDH1A1MAPTALOX15TSHRRECQL

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