SCHEMBL6582815

SCHEMBL6582815

[CH2]c1cccc(-c2nc(-c3ccc(OC)cc3)nn2COC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.47
NR1H2 P55055 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 1/20 0.40
AVPR1B P47901 8/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
CASP3 P42574 1/20 0.40
TGM3 Q08188 1/20 0.40
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
STAT3 P40763 1/20 0.38

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
SCHEMBL6581328 0.90 NR1H3 (0.45) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6581299 0.83 NR1H2 (0.45) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6581649 0.83 NR1H2 (0.51) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6578579 0.82 NR1H3 (0.49) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL6581321 0.81 NR1H3 (0.48) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL17280134 0.80 NR1H3 (0.57) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6580841 0.73 NR1H3 (0.43) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6580598 0.73 NR1H3 (0.47) NR1H3NR1H2ALDH1A1AVPR1BTGM2
SCHEMBL6580805 0.72 TGM2 (0.51) NR1H3NR1H2SMN1; SMN2KDM4ENPC1
SCHEMBL6581277 0.72 NR1H2 (0.43) NR1H3NR1H2SMN1; SMN2KDM4ENPC1

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-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP claimed