SCHEMBL7795727

SCHEMBL7795727

O=C(SCc1ccc(CSC(=O)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
DAGLA Q9Y4D2 1/20 0.49
AURKA O14965 1/20 0.49
JAK2 O60674 1/20 0.49
ABL1 P00519 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
SCHEMBL7791799 0.90 DAGLA (0.49) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7794766 0.83 DAGLA (0.50) MAPTRAB9ASMN1; SMN2LMNADAGLA
SCHEMBL7796230 0.82 DAGLA (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL7794696 0.82 DAGLA (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL7786244 0.82 DAGLA (0.52) MAPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL10346156 0.80 AURKA (0.58) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL6589390 0.76 DAGLA (0.47) MAPTHDAC1ALDH1A1HDAC3HDAC4
SCHEMBL1757287 0.75 AURKA (0.59) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL250171 0.75 CCND3 (0.70) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7000982 0.73 CCND3 (0.68) MAPTALDH1A1RAB9ASMN1; SMN2LMNA

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