SCHEMBL6981536

SCHEMBL6981536

CCc1nnc(CCCOc2c(C)cc(C#N)cc2C)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.35
ESRRA P11474 1/20 0.35
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KCNH2 Q12809 2/20 0.30

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
SCHEMBL6979992 0.89 SCN8A (0.36) SCN8AALDH1A1MAPT
SCHEMBL9087868 0.82 SCN8A (0.34) SCN8A
SCHEMBL8556463 0.79 HDAC1 (0.34) SCN8AKDM4ESMN1; SMN2KCNH2
SCHEMBL8824433 0.77 SCN8A (0.38) SCN8AKDM4EMAPTKCNH2
SCHEMBL8913750 0.76 SCN8A (0.33) SCN8AMAPTNPSR1KCNH2
SCHEMBL6977621 0.75 GAA (0.37) NPC1MAPTRAB9ANPSR1
SCHEMBL9089326 0.75 SCN8A (0.36) SCN8AKDM4E
SCHEMBL6982022 0.74 NR1I2 (0.47)
SCHEMBL8824480 0.72 SCN8A (0.38) SCN8AKDM4EMAPTKCNH2
SCHEMBL8824442 0.72 SCN8A (0.38) SCN8AKDM4EALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759755-B1 Thiadiazolylalkoxyphenyl derivatives, their preparation and their use anti-picornaviral agents SANOFI SYNTHELABO (FR) 2003-08-13 EP disclosed
US-5821257-A Thiadiazoles and their uses as antipicornaviral agents SANOFI (FR) 1998-10-13 US disclosed
US-5750527-A VIRICIDES SANOFI (FR) 1998-05-12 US disclosed
US-5650419-A Thiadiazoles and their use as antipicornaviral agents SANOFI, S.A. 1997-07-22 US disclosed
EP-0759755-A4 THIADIAZOLES AND THEIR USE AS ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP INC (US) 1997-05-07 EP disclosed
EP-0759755-A1 Thiadiazolylalkoxyphenyl derivatives, their preparation and their use anti-picornaviral agents SANOFI WINTHROP, INC. (US) 1997-03-05 EP disclosed
US-5567719-A Thiadiazoles and their use as antipicornaviral agents STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
WO-1995031198-A1 THIADIAZOLES AND THEIR USE AS ANTIPICORNAVIRAL AGENTS SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
US-5453433-A Viricides; antiseptics to decontaminate polio, rhino and coxsackie viruses STERLING WINTHROP INC. (US) 1995-09-26 US disclosed