SCHEMBL6976401

SCHEMBL6976401

CCc1nnc(CCCOc2c(C)cc(-c3noc(C(F)F)n3)cc2C)s1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
S1PR1 P21453 18/20 0.38
S1PR3 Q99500 14/20 0.38
HDAC4 P56524 1/20 0.33

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
SCHEMBL9087925 0.87 NR1I2 (0.45) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL6982022 0.86 NR1I2 (0.47) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8691202 0.84 NR1I2 (0.45) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL6983983 0.84 NR1I2 (0.46) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8558786 0.84 NR1I2 (0.48) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8553621 0.84 NR1I2 (0.44) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL9089195 0.82 NR1I2 (0.46) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8913251 0.82 NR1I2 (0.43) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL8132443 0.80 NR1I2 (0.70) NR1I2CYP3A4CYP2D6S1PR1S1PR3
SCHEMBL9089929 0.79 NR1I2 (0.45) NR1I2CYP3A4CYP2D6S1PR1S1PR3

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 8 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 claimed
EP-0759755-B1 Thiadiazolylalkoxyphenyl derivatives, their preparation and their use anti-picornaviral agents SANOFI SYNTHELABO (FR) 2003-08-13 EP 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