SCHEMBL3467586

SCHEMBL3467586

O=S(=O)(Cc1ccc(Cl)cc1)Nc1nnc(CCOc2ccc(Cl)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GGT1 P19440 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
SCHEMBL3467041 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3466719 0.89 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3467474 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3466980 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3467359 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL3467085 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3467153 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3466835 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3467152 0.80 MEN1 (0.53) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3467511 0.80 MEN1 (0.52) ALDH1A1MEN1KMT2AHPGDMAPT

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