SCHEMBL7795897

SCHEMBL7795897

CCC(=O)Nc1ccc2nc(S)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 3/20 0.50
EGFR P00533 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
KDR P35968 1/20 0.45
RORC P51449 1/20 0.44

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
SCHEMBL7795890 0.89 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL8656543 0.86 NPC1 (0.54) EGFRLMNAKDM4EALDH1A1HPGD
SCHEMBL7794733 0.85 SPHK2 (0.54) EGFRLMNAPOLBKDM4EALDH1A1
SCHEMBL7031472 0.85 SPHK2 (0.54) EGFRLMNAPOLBKDM4EALDH1A1
SCHEMBL6608685 0.84 KDM4E (0.61) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL4577635 0.81 DGAT1 (0.53) MEN1KMT2AMAPTEGFRPOLB
SCHEMBL14160765 0.81 EGFR (0.43) MEN1KMT2AMAPTEGFRPOLB
SCHEMBL13922193 0.81 FABP4 (0.49) MEN1KMT2AMAPTEGFRPOLB
SCHEMBL4576194 0.80 BAZ1A (0.49) MEN1KMT2AMAPTEGFRPOLB
SCHEMBL13656911 0.80 ALDH1A1 (0.44) MEN1KMT2AMAPTEGFRPOLB

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