SCHEMBL7795665

SCHEMBL7795665

CCCCCCCCn1c(C(=O)SCCCCCSC(=O)c2nc3ccccc3n2CCCCCCCC)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
TLR8 Q9NR97 2/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
CNR2 P34972 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 2/20 0.53
POLB P06746 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 3/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7786251 0.93 ALDH1A1 (0.62) NPSR1SAE1UBA2PTGDR2ALDH1A1
SCHEMBL7786135 0.83 PTGDR2 (0.47) NPSR1SAE1UBA2PTGDR2ALDH1A1
SCHEMBL28372897 0.82 TLR8 (0.64) NPSR1SAE1UBA2TLR8ALDH1A1
SCHEMBL28378368 0.82 TLR8 (0.64) NPSR1SAE1UBA2TLR8ALDH1A1
SCHEMBL28373626 0.82 TLR8 (0.64) NPSR1SAE1UBA2TLR8ALDH1A1
SCHEMBL7796432 0.82 HDAC6 (0.46) PTGDR2ALDH1A1HTTSMN1; SMN2RECQL
SCHEMBL28283760 0.82 ALDH1A1 (0.64) NPSR1SAE1UBA2TLR8ALDH1A1
SCHEMBL7786325 0.82 HDAC6 (0.46) PTGDR2ALDH1A1HTTSMN1; SMN2RECQL
SCHEMBL7794693 0.81 PTGDR2 (0.47) NPSR1SAE1UBA2PTGDR2ALDH1A1
SCHEMBL28378028 0.81 TLR8 (0.63) NPSR1SAE1UBA2TLR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed