SCHEMBL7948337

SCHEMBL7948337

O=S(=O)(C#Cc1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
NAMPT P43490 1/20 0.36
NFE2L2 Q16236 3/20 0.36
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 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
SCHEMBL7958666 0.81 GRM5 (0.39) FFAR1ALDH1A1TDP1SMN1; SMN2PKM
SCHEMBL28281703 0.78 NPC1 (0.46) ALDH1A1TDP1L3MBTL1SMN1; SMN2PKM
SCHEMBL7958115 0.78 FFAR1 (0.45) FFAR1ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL10847901 0.76 FFAR1 (0.57) FFAR1CHRNB2CHRNA4MAPT
SCHEMBL7948200 0.75 NPC1 (0.59) ALDH1A1TDP1SMN1; SMN2HSD17B10CYP2C9
SCHEMBL28283090 0.74 HSD11B1 (0.41) ALDH1A1TDP1L3MBTL1GAASMN1; SMN2
SCHEMBL28710707 0.71 NPC1 (0.46) ALDH1A1TDP1L3MBTL1SMN1; SMN2MEN1
SCHEMBL28705803 0.71 CA12 (0.50) ALDH1A1TDP1GAASMN1; SMN2MEN1
SCHEMBL28281697 0.71 PKM (0.47) FFAR1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL28281734 0.71 NPC1 (0.46) ALDH1A1TDP1SMN1; SMN2HSD17B10NPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071753-C 7-azabicyclo[2,2,1]-heptane and heptene derivatives as cholinergic receptor ligands UNIV VIRGINIA (US) 2001-09-26 CN disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
CN-1052726-C 7-azabicyclo-[2,2,1]-heptane and-heptene derivatives as analgesics and anti-inflammatory agents UNIV VIRGINIA (US) 2000-05-24 CN disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US disclosed
CN-1163613-A 7-azabicyclo[2,2,1]-heptane and heptene derivatives as cholinergic receptor ligands UNIV VIRGINIA (US) 1997-10-29 CN disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
CN-1133045-A 7-azabicyclo-[2,2,1]-heptane and-heptene derivatives as analgesics and anti-inflammatory agents UNIV VIRGINIA (US) 1996-10-09 CN disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed