SCHEMBL9575847

SCHEMBL9575847

N#Cc1ccc(S)c(C(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.42
AKR1C3 P42330 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
VNN1 O95497 1/20 0.41
GSK3B P49841 2/20 0.41
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4852724 0.82 MAPT (0.58) F2PLGPLAUKLKB1PRSS1
SCHEMBL7328069 0.82 HNF4A (0.50) F2PLGPLAUKLKB1PRSS1
SCHEMBL9575857 0.80 GSK3B (0.47) ALDH1A1L3MBTL1LMNAMAPTKMT2A
SCHEMBL9575562 0.79 GSK3B (0.54) MAPTVNN1GSK3B
SCHEMBL6554490 0.79 F2 (0.47) F2PLGPLAUKLKB1PRSS1
SCHEMBL7066561 0.79 MEN1 (0.62) F2PLGPLAUKLKB1PRSS1
SCHEMBL28289267 0.77 MAPT (0.45) F2PLGPLAUKLKB1PRSS1
SCHEMBL9575531 0.76 RXFP1 (0.47) VNN1CYP2C8
Water SCHEMBL28352748 0.75 MAPT (0.61) KDM4EALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL3215328 0.75 ALDH1A1 (0.61) PTGS1PTGS2KDM4EALDH1A1L3MBTL1

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