SCHEMBL3430409

SCHEMBL3430409

NC(=O)C1=CCC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 4/20 0.35
SLC9A1 P19634 1/20 0.34
HDAC4 P56524 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
BCL2L1 Q07817 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
SCHEMBL535747 0.86 HDAC4 (0.35) POLBTSHRTDP1L3MBTL1HDAC4
SCHEMBL6277324 0.85 CYP2C9 (0.37) PARP1MAPTPOLBCYP3A4TSHR
Hydrochloric Acid SCHEMBL6257138 0.85 HDAC4 (0.34) POLBTSHRTDP1L3MBTL1HDAC4
SCHEMBL4781477 0.83 ALDH1A1 (0.40) MAPTL3MBTL1KDM1AHDAC4ALDH1A1
SCHEMBL23050146 0.80 TSHR (0.41) POLBTSHRRECQLHSD17B10TDP1
SCHEMBL16715925 0.77 EPHX1 (0.51) TSHRCYP2C19HDAC4KMT2AHPGD
SCHEMBL886018 0.73 PARP1 (0.35) PARP1MAPTPOLBCYP3A4TSHR
SCHEMBL19338351 0.73 CA12 (0.35)
SCHEMBL27714395 0.73 CYP3A4 (0.47) MAPTCYP3A4TSHRHSD17B10ALDH1A1
SCHEMBL12087540 0.73 HDAC4 (0.34) MAPTPOLBCYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO claimed
WO-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO claimed
WO-2007077457-A2 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS THE ROYAL VETERINARY COLLEGE (GB) 2007-07-12 WO claimed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP claimed
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP claimed
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 EP claimed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO claimed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP claimed
JP-2002511879-A 2002-04-16 JP claimed
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP claimed
WO-2001064213-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP claimed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO claimed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO claimed