SCHEMBL7791982

SCHEMBL7791982

CCC(=O)Nc1ccc2c(c1)nc(C(=O)SCCCCCSC(=O)c1nc3ccc(NC(=O)CC)cc3n1C(=O)CC)n2C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
RORC P51449 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.37
POLB P06746 1/20 0.36
GNRHR P30968 1/20 0.36

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
SCHEMBL7795656 0.92 NPC1 (0.42) HSD17B10KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7795876 0.87 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2NPC1LMNAKMT2A
SCHEMBL7796104 0.83 HPGD (0.39) HSD17B10KDM4ELMNAKMT2AMEN1
SCHEMBL8400685 0.83 P2RX3 (0.34) HSD17B10KDM4ERAB9AKMT2AMEN1
SCHEMBL7792456 0.82 BACE1 (0.39) KMT2A
SCHEMBL7792324 0.80 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1GAAPOLB
SCHEMBL7786096 0.79 ACSS2 (0.35) KDM4EALDH1A1GAAGNRHR
SCHEMBL7792081 0.79 PTGDR2 (0.43) HSD17B10KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL7792344 0.79 PTGDR2 (0.43) HSD17B10KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL7796343 0.79 PTGDR2 (0.43) HSD17B10KDM4ESMN1; SMN2KMT2AL3MBTL1

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