SCHEMBL7796129

SCHEMBL7796129

CCC(=O)n1c(C(=O)SCCCCSC(=O)c2nc3ccccc3n2C(=O)CC)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
PSMD14 O00487 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ASAH1 Q13510 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7792344 0.99 PTGDR2 (0.43) CYP1A2CYP2C9CYP2C19PTGDR2MAPT
SCHEMBL7792081 0.99 PTGDR2 (0.43) CYP1A2CYP2C9CYP2C19PTGDR2MAPT
SCHEMBL7796343 0.99 PTGDR2 (0.43) CYP1A2CYP2C9CYP2C19PTGDR2MAPT
SCHEMBL7794693 0.87 PTGDR2 (0.47) PTGDR2ALDH1A1RECQLSMN1; SMN2ASAH1
SCHEMBL7794772 0.85 CYP1A2 (0.45) CYP1A2PTGDR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL7795675 0.84 GAA (0.54) PTGDR2MAPTALDH1A1GAAPSMD14
SCHEMBL7792121 0.84 IDO1 (0.47) PTGDR2SMN1; SMN2L3MBTL1ASAH1KDM4E
SCHEMBL8402493 0.82 ALDH1A1 (0.56) PTGDR2MAPTALDH1A1RECQLSMN1; SMN2
SCHEMBL8400685 0.81 P2RX3 (0.34) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL7792456 0.81 BACE1 (0.39) KMT2A

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 3 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
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US 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