SCHEMBL7794740

SCHEMBL7794740

O=C(SCCCCCSC(=O)c1nc2ccc(Cl)cc2[nH]1)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.52
HRH3 Q9Y5N1 2/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.42
POLB P06746 2/20 0.41

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
Hydrochloric Acid SCHEMBL7794721 0.99 HRH4 (0.51) HRH4HRH3RAB9AHSD17B10TDP1
SCHEMBL7794739 0.89 HRH4 (0.41) HRH4HRH3RAB9AHSD17B10TDP1
Hydrochloric Acid SCHEMBL7794719 0.88 HRH4 (0.40) HRH4HRH3RAB9AHSD17B10TDP1
SCHEMBL7792323 0.84 PIN1 (0.61) HRH4RAB9AHSD17B10HPGDSMN1; SMN2
SCHEMBL7786132 0.83 EGLN1 (0.52)
SCHEMBL7796289 0.81 PIN1 (0.64) HSD17B10ALDH1A1MAPTPOLB
SCHEMBL7796362 0.81 EGLN1 (0.57) RAB9AMAPTKMT2A
SCHEMBL7796230 0.80 DAGLA (0.52) HRH4RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7786244 0.80 DAGLA (0.52) HRH4RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7794696 0.80 DAGLA (0.52) HRH4RAB9ASMN1; SMN2MAPTKMT2A

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