SCHEMBL7333342

SCHEMBL7333342

COC(=O)c1ccc(NC(C)=O)c2c1OCC=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 9/20 0.36
TDP1 Q9NUW8 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
CDK1 P06493 1/20 0.35
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL7415931 0.86 KDM4E (0.42) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5759485 0.80 ABL1 (0.35) SMN1; SMN2ALDH1A1KDM4ETDP1NPC1
SCHEMBL31682592 0.80 HTT (0.36) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL506268 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL21003314 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL5318494 0.77 KDM4E (0.38) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL8132695 0.75 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL21954978 0.75 HTT (0.37) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL5764364 0.74 ABL1 (0.38) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL856326 0.74 TDP1 (0.43) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127379-A TREATING IRRITABLE BOWEL SYNDROME, URINARY INCONTINENCE, ATRIAL ARRHYTHMIA OR STROKE SMITHKLINE BEECHAM P.L.C. (GB) 2000-10-03 US disclosed
US-5708174-A Heterocyclic-esters or -amides used as 5-HT4 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-01-13 US disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
EP-0664805-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
EP-0625149-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-23 EP disclosed
WO-1994008994-A1 HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
WO-1993016072-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-19 WO disclosed