SCHEMBL434572

SCHEMBL434572

Fc1[c]cccc1-c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 1/20 0.34
ADORA2A P29274 1/20 0.34
NPC1 O15118 3/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPL P40238 1/20 0.33
KCNN4 O15554 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PKM P14618 2/20 0.32

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
SCHEMBL15636749 0.80 CA1 (0.37)
SCHEMBL12816458 0.80 NOTUM (0.34) NOTUMKDM4EALDH1A1IDO1NPC1
SCHEMBL436195 0.79 GPR3 (0.36) KDM4EALDH1A1IDO1ADORA2ANPC1
SCHEMBL4367790 0.78 NOTUM (0.33) NOTUMKDM4EALDH1A1IDO1NPC1
SCHEMBL432734 0.78 PTPRC (0.35) NOTUMKDM4EALDH1A1IDO1NPC1
SCHEMBL15637134 0.78 NOTUM (0.33) NOTUMKDM4EALDH1A1IDO1NPC1
SCHEMBL2015542 0.78 ACHE (0.39) NOTUMKDM4EALDH1A1IDO1ADORA2A
SCHEMBL8125019 0.78 ACHE (0.39) NOTUMALDH1A1ADORA2ANPC1MAPT
SCHEMBL3790757 0.78 CYP2A6 (0.41) NOTUMALDH1A1IDO1NPC1KMT2A
SCHEMBL16894699 0.78 NPC1 (0.35) NOTUMKDM4EALDH1A1IDO1ADORA2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4716984-B2 2011-07-06 JP claimed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP claimed
JP-2006520790-A 2006-09-14 JP claimed
CN-1826325-A 4,5-dihydro-imidazole as P2X7 ion channel blockers AVENTIS PHARMA INC (US) 2006-08-30 CN claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
JP-2001513107-A 2001-08-28 JP claimed
EP-1089981-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS. Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP claimed
EP-0968198-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING $g(b)-AMYLOID PEPTIDE Elan Pharmaceuticals, Inc. (US) 2000-01-05 EP claimed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
WO-2016156282-A1 NOVEL TRIAZOLE COMPOUNDS FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-06 WO disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed