SCHEMBL6677704

SCHEMBL6677704

Clc1ccc(-c2nnc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)s2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.58
GAA P10253 3/20 0.58
SI P14410 3/20 0.58
MGAM2 Q2M2H8 3/20 0.58
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALOX5 P09917 2/20 0.46
GSTP1 P09211 1/20 0.43
NR1H2 P55055 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6154349 0.83 GUSB (0.60) MGAMGAASIMGAM2S1PR1
SCHEMBL6677778 0.81 MGAM (0.51) MGAMGAASIMGAM2S1PR1
SCHEMBL3564976 0.73 MCL1 (0.50) GSTP1BCL2L1MCL1MEN1KMT2A
SCHEMBL3832934 0.71 GAA (0.71) MGAMGAASIMGAM2MAPT
SCHEMBL6153476 0.70 NOTUM (0.56) MGAMGAASIMGAM2MAPT
SCHEMBL6155089 0.70 PIK3CD (0.48) MGAMGAASIMGAM2MAPT
SCHEMBL4674930 0.70 MEN1 (0.70) GAAMAPTL3MBTL1ALOX5GSTP1
SCHEMBL6677701 0.69 ABL1 (0.41) MGAMGAASIMGAM2MAPT
SCHEMBL6682394 0.69 ALDH1A1 (0.53) MGAMGAASIMGAM2S1PR1
SCHEMBL1842452 0.69 MEN1 (0.59) GAAMAPTL3MBTL1ALOX5GSTP1

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
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed