SCHEMBL3467153

SCHEMBL3467153

O=S(=O)(Cc1ccccc1)Nc1nnc(CCCOc2ccccc2)s1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 2/20 0.61
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
HSD17B10 Q99714 3/20 0.54
GLS O94925 6/20 0.52
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
GGT1 P19440 1/20 0.46

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
SCHEMBL3467586 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3467295 0.80 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3467474 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3467957 0.75 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15727672 0.72 GLS (0.77) ALDH1A1GLSTDP1
SCHEMBL3466719 0.72 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9796280 0.71 CA2 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL14987347 0.68 GLS (1.00) GLSLMNAMAPT
SCHEMBL3466980 0.68 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL21443424 0.68 GLS (0.69) ALDH1A1GLSTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed