SCHEMBL6983624

SCHEMBL6983624

CCc1nnc(CCCO)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GLS O94925 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15480812 0.86 ALDH1A1 (0.52) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL13398310 0.78 SMN1; SMN2 (0.40) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL15042202 0.75 ALDH1A1 (0.47) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL28656883 0.74 ALDH1A1 (0.39) ALDH1A1POLBGLS
Hydrochloric Acid SCHEMBL3710488 0.71 CA1 (0.40) ALDH1A1POLBGLSRAB9AATM
SCHEMBL24259127 0.71 ALDH1A1 (0.45) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL14773409 0.71 ALDH1A1 (0.49) ALDH1A1POLBGLSRAB9AATM
SCHEMBL22368217 0.70 ALDH1A1 (0.73) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL6553986 0.70 ALDH1A1 (0.73) ALDH1A1POLBNPSR1GLSRAB9A
SCHEMBL31244838 0.70 ALDH1A1 (0.73) ALDH1A1POLBNPSR1GLSRAB9A

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 disclosed
CN-1095664-C Thiadiazoles and their use as antipicornaviral agent SANNOFFE SYNTHELAB S A (FR) 2002-12-11 CN 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
CN-1148339-A Thiadiazoles and their use as antipicornaviral agent SANOFI WINTHROP INC (US) 1997-04-23 CN disclosed
US-5567719-A Thiadiazoles and their use as antipicornaviral agents STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
US-5453433-A Viricides; antiseptics to decontaminate polio, rhino and coxsackie viruses STERLING WINTHROP INC. (US) 1995-09-26 US disclosed