SCHEMBL8034936

SCHEMBL8034936

Cc1nsc(NCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP3 P08254 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FSCN1 Q16658 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL10119744 0.75 ADORA3 (0.58) SMN1; SMN2LMNAHTTL3MBTL1MEN1
SCHEMBL9852280 0.73 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4242407 0.73 RAB9A (0.61) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL24804634 0.72 ALDH1A1 (0.58) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10591917 0.72 RAB9A (0.76) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11508630 0.70 HDAC4 (0.52) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9396687 0.69 HTT (0.45) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL15219305 0.69 NOS2 (0.53) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28931524 0.68 GAA (0.56) GAAALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3298289 0.68 KCNH3 (0.73) GAAALDH1A1LMNANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed