SCHEMBL7787695

SCHEMBL7787695

O=S(=O)(CCCC1CCCCC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
HTR7 P34969 1/20 0.50
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 3/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL7459127 0.84 ALDH1A1 (0.61) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL15226077 0.80 ALDH1A1 (0.56) KMT2ARAB9APOLBHTR7MEN1
SCHEMBL11171493 0.79 KDM4E (0.50) KMT2ARAB9APOLBHTR7KEAP1
SCHEMBL8392222 0.78 HDAC3 (0.45) KMT2ASIGMAR1MEN1KDM1AMAOA
SCHEMBL8397080 0.78 HDAC3 (0.45) KMT2ASIGMAR1MEN1KDM1AMAOA
SCHEMBL8392014 0.78 HDAC3 (0.45) KMT2ASIGMAR1MEN1KDM1AMAOA
SCHEMBL6623889 0.76 ALDH1A1 (0.60) KMT2AHTR7SIGMAR1KEAP1KDM1A
SCHEMBL8392017 0.76 ALDH1A1 (0.60) KMT2AHTR7SIGMAR1KEAP1KDM1A
SCHEMBL11064709 0.76 KMT2A (0.43) KMT2ARAB9APOLBHTR7MEN1
Bicarbonate SCHEMBL15225927 0.76 RAB9A (0.54) KMT2ARAB9APOLBNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837679-B1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 2001-10-24 EP disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6008240-A AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-12-28 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed
EP-0837679-A4 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 1999-03-03 EP disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0837679-A1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES Gliatech, Inc. (US) 1998-04-29 EP disclosed
US-5652258-A HISTAMINE ANTAGONISTS GLIATECH, INC. (US) 1997-07-29 US disclosed
WO-1996038141-A1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 1996-12-05 WO disclosed