SCHEMBL9575703

SCHEMBL9575703

N#Cc1ccccc1C(=O)c1ccccc1S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.39
PPIA P62937 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KAT6A Q92794 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2913776 0.88 ALDH1A1 (0.45) MAPTALDH1A1LMNAPPIAPOLB
SCHEMBL1821914 0.82 MAPT (0.68) MAPTHDAC8ALDH1A1SMN1; SMN2GAA
Thiosalicylic Acid SCHEMBL1325384 0.81 MAPT (0.70) MAPTHDAC8ALDH1A1LMNAPOLB
SCHEMBL9575558 0.79 GSTA1 (0.49) MAPTALDH1A1LMNAPPIAPOLB
SCHEMBL9797365 0.79 LIG1 (0.41) MAPTALDH1A1LMNAPPIAPOLB
SCHEMBL7636142 0.78 TSHR (0.55) ALDH1A1POLBTSHR
SCHEMBL1200740 0.77 AKR1C3 (0.55) MAPTALDH1A1LMNAPOLBL3MBTL1
SCHEMBL9404648 0.76 CA1 (0.44) MAPTALDH1A1LMNAPPIAPOLB
SCHEMBL31000747 0.76 PPIA (0.45) MAPTALDH1A1LMNAPPIAPOLB
SCHEMBL6276445 0.76 PPIA (0.45) MAPTALDH1A1LMNAPPIAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed