SCHEMBL9575901

SCHEMBL9575901

CN(C)C(=S)Oc1ccc(C#N)cc1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.40
ELANE P08246 1/20 0.39
CYP11B1 P15538 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP11B2 P19099 1/20 0.39
POLB P06746 1/20 0.38
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL9575840 0.85 ELANE (0.44) ELANECYP11B1MAPTCYP11B2KDM4E
SCHEMBL9575709 0.84 ELANE (0.41) ELANEKDM4EHSD17B10
SCHEMBL9753203 0.82 TP53 (0.46) ELANEPTGDR2MAPTMAPK1LMNA
SCHEMBL9575851 0.81 PTGDR2 (0.43) NCEH1MRGPRX4PTGDR2SLC6A9KDM4E
SCHEMBL6392908 0.80 ELANE (0.59) ELANEMAPTMAPK1POLBKDM4E
SCHEMBL9491365 0.74 NCEH1 (0.42) NCEH1CYP11B1PTGDR2CYP11B2KDM4E
SCHEMBL9797353 0.74 VNN1 (0.45) ELANECYP11B1MAPK1CYP11B2POLB
SCHEMBL28788737 0.73 AR (0.48) NCEH1CYP11B1MRGPRX4MAPTKMT2A
SCHEMBL9575519 0.72 KMT2A (0.46) CYP11B1MAPTCYP11B2POLBKMT2A
SCHEMBL7468048 0.72 POLB (0.66) ELANEMAPTMAPK1POLBKDM4E

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