SCHEMBL6689528

SCHEMBL6689528

CCOC(=O)CC1=NS(=O)(=O)c2cc(O)c(Cl)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 2/20 0.38
CYP1A2 P05177 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
SCHEMBL6686746 0.86 MAPT (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5098238 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6233072 0.80 RECQL (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5097715 0.77 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5097658 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL6687431 0.75 TP53 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2CYP2C9
SCHEMBL7073510 0.74 TP53 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8819461 0.70 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL393138 0.69 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL6686449 0.68 MAPT (0.35) MEN1KMT2AHPGDALDH1A1TSHR

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-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO claimed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed