SCHEMBL3467041

SCHEMBL3467041

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.41
P2RY1 P47900 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.92 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3467085 0.91 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3467783 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3466719 0.81 SMN1; SMN2 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3467511 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3467152 0.80 MEN1 (0.53) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3467863 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3467474 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3466980 0.76 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3466835 0.76 ALDH1A1 (0.50) 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