SCHEMBL3884567

SCHEMBL3884567

COC(=N)N.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
MAPK1 P28482 1/20 0.55
F2 P00734 3/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
SNCA P37840 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45

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
Guanidine SCHEMBL811270 0.88 CYP2D6 (0.61) CYP2D6MAPK1F2PRSS1PRSS2
Hydroxyguanidine SCHEMBL13673553 0.85 CYP2D6 (0.55) CYP2D6MAPK1F2PRSS1PRSS2
Pimagedine SCHEMBL1551679 0.85 CYP2D6 (0.55) CYP2D6MAPK1F2PRSS1PRSS2
Biguanide SCHEMBL27660583 0.85 CYP2D6 (0.55) CYP2D6MAPK1F2PRSS1PRSS2
Thiourea SCHEMBL1577311 0.85 CYP2D6 (0.58) CYP2D6MAPK1F2PRSS1PRSS2
Methoxyamine SCHEMBL28624699 0.84 ALDH1A1 (0.52) CYP2D6MAPK1F2PRSS1PRSS2
Methoxymethane SCHEMBL3404680 0.84 GAA (0.54) CYP2D6MAPK1F2PRSS1PRSS2
Methoxymethane SCHEMBL11145545 0.84 GAA (0.54) CYP2D6MAPK1F2PRSS1PRSS2
Urea SCHEMBL11794762 0.82 ALDH1A1 (0.57) CYP2D6MAPK1F2PRSS1PRSS2
Hydroxyamine SCHEMBL599912 0.82 ALDH1A1 (0.58) CYP2D6MAPK1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120737013-B Synthesis process of guanfacine hydrochloride 青岛华商新耀医药科技有限公司 2026-02-10 CN disclosed
CN-120737013-A Synthesis process of guanfacine hydrochloride 青岛华商新耀医药科技有限公司 2025-10-03 CN disclosed
EP-1009725-B1 13C,15N,2H LABELED PROTEINS FOR NMR STRUCTURE DETERMINATIONS AND THEIR PREPARATION MARTEK BIOSCIENCES CORP (US) 2009-01-07 EP disclosed
EP-1889823-A1 13c,15n,2h labeled proteins for nmr structure determinations and their preparation MARTEK BIOSCIENCES CORPORATION (US) 2008-02-20 EP disclosed
US-6376253-B1 CULTIVATION OF A MICROBIAL CULTURE CONTAINING ISOTOPICALLY LABELED AMINO ACIDS MARTEK BIOSCIENCES CORPORATION 2002-04-23 US disclosed
US-6340578-B1 HIGH SPEED DETERMINATION OF THREE-DIMENSIONAL STRUCTURE USING ISOTOPES; POLYPEPTIDE BIOSYNTHESIS MARTEK BIOSCIENCES CORPORATION 2002-01-22 US disclosed
US-6335196-B1 NUTRIENT BROTH; FOR USE IN THE PROPAGATION OF BACTERIAL, YEAST, MAMMALIAN OR INSECT CELL CULTURES MARTEK BIOSCIENCES CORP. 2002-01-01 US disclosed
US-6111066-A PEPTIDES SUBSTITUTED WITH CARBON, NITROGEN AND HYDROGEN ISOTOPES; FOR THREE DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURE DETERMINATION; PRODUCED BY CELL CULTURE MARTEK BIOSCIENCES CORPORATION (US) 2000-08-29 US disclosed
EP-1009725-A1 13C,15N,2H LABELED PROTEINS FOR NMR STRUCTURE DETERMINATIONS AND THEIR PREPARATION MARTEK BIOSCIENCES CORPORATION (US) 2000-06-21 EP disclosed
WO-1999011589-A1 13C, 15N, 2H LABELED PROTEINS FOR NMR STRUCTURE DETERMINATIONS AND THEIR PREPARATION MARTEK BIOSCIENCES CORPORATION (US) 1999-03-11 WO disclosed