SCHEMBL9797353

SCHEMBL9797353

CN(C)C(=S)Oc1ccc(C(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
ELANE P08246 1/20 0.42
GSK3B P49841 2/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL9797871 0.87 ALDH1A1 (0.47) VNN1CYP11B1CYP11B2ELANE
SCHEMBL9575709 0.81 ELANE (0.41) VNN1ELANEGSK3BHTT
SCHEMBL7780410 0.80 VNN1 (0.63) VNN1GSK3BLMNAMAPK1L3MBTL1
SCHEMBL9493319 0.80 MGLL (0.45)
SCHEMBL9797737 0.77 MAPT (0.52) HTTTDP1
SCHEMBL2581486 0.76 ALDH1A1 (0.42) CYP11B1CYP11B2POLB
SCHEMBL9797799 0.76 ELANE (0.40) ELANELMNAPKMHTTL3MBTL1
SCHEMBL4201889 0.74 ATM (0.63) VNN1GSK3BTDP1L3MBTL1
SCHEMBL9797697 0.74 GSK3B (0.43) VNN1GSK3BHTT
SCHEMBL9575901 0.74 NCEH1 (0.40) CYP11B1CYP11B2ELANELMNAPOLB

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
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 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
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 US disclosed