SCHEMBL6817229

SCHEMBL6817229

C(=NCCC1CNCCO1)=NC1CCCCC1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
KAT6A Q92794 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 4/20 0.32
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
SGK1 O00141 2/20 0.30

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
SCHEMBL8170852 0.85 CYP2C9 (0.41) CYP2C9KAT6AKDM4ECYP1A2KMT2A
SCHEMBL27902050 0.81 CYP2C9 (0.47) CYP2C9CYP1A2
SCHEMBL6817227 0.81 CYP2C9 (0.32) CYP2C9EPHX2KMT2ANCOA3
SCHEMBL6068742 0.80 CYP1A2 (0.45) CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL27783235 0.78 CYP1A2 (0.44) CYP2C9CYP1A2
Phosphoric Acid SCHEMBL28832745 0.78 CYP1A2 (0.40) CYP2C9CYP1A2
SCHEMBL335422 0.78 CYP1A2 (0.59) CYP2C9EPHX2CYP1A2KMT2ALMNA
SCHEMBL31278334 0.78 CYP1A2 (0.59) CYP2C9EPHX2CYP1A2KMT2ALMNA
SCHEMBL1374190 0.75 CYP1A2 (0.39) CYP2C9CYP1A2
Diethyl Hydrogen Phosphate SCHEMBL27840807 0.74 CYP1A2 (0.35) CYP2C9CYP1A2

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
US-6015828-A ADMINISTERING CONDENSATION AGENT AND AMINE; DEACTIVATING AND NEUTRALIZING CHARGED AMINO ACID RESIDUES OF CHANNELS CUPPOLETTI JOHN (US) 2000-01-18 US claimed
CN-101171042-B Coating the whole surface of a built-in prothesis and coated built-in prothes HEMOTEQ AG 2012-01-18 CN disclosed
CN-102258811-A Manufacture, method and use of active substance-releasing medical products for permanently keeping blood vessels open 2011-11-30 CN disclosed
CN-101972492-A Medical product for curing body channel narrow and preventing dangerous restenosis HEMOTEQ AG 2011-02-16 CN disclosed
CN-101687066-A Medical product for treating stenosis of body passageways and preventing dangerous restenosis HEMOTEQ AG 2010-03-31 CN disclosed
CN-101583384-A Manufacture, method and use of active-releasing medical products for permanent vascular patency HEMOTEQ AG (DE) 2009-11-18 CN disclosed
CN-101171042-A A method for coating the whole surface of a built-in prothesis HEMOTEQ GMBH (DE) 2008-04-30 CN disclosed
WO-2004009584-A1 NOVEL P-GLYCOPROTEIN INHIBITOR, METHOD FOR PREPARING SAME AND ORAL COMPOSITION COMPRISING SAME HANMI PHARM. CO., LTD. (KR) 2004-01-29 WO disclosed
US-5432202-A Regulating potassium transport across cellular membranes NEW YORK UNIVERSITY (US) 1995-07-11 US disclosed
EP-0597830-A1 USE OF POLYAMINES AS IONIC-CHANNEL REGULATING AGENTS NEW YORK UNIVERSITY NYU MEDICAL CENTER (US) 1994-05-25 EP disclosed
US-5242947-A Use of polyamines as ionic-channel regulating agents NEW YORK UNIVERSITY (US) 1993-09-07 US disclosed
EP-0597830-A4 USE OF POLYAMINES AS IONIC-CHANNEL REGULATING AGENTS. NEW YORK UNIVERSITY NYU MEDICA (US) 1992-07-22 EP disclosed
WO-1991000853-A1 USE OF POLYAMINES AS IONIC-CHANNEL REGULATING AGENTS NEW YORK UNIVERSITY (US) 1991-01-24 WO disclosed