SCHEMBL7846644

SCHEMBL7846644

COC(=O)c1sc2ccncc2c1N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 5/20 0.79
GLA P06280 4/20 0.79
GAA P10253 3/20 0.79
HPGD P15428 3/20 0.79
HSD17B10 Q99714 3/20 0.79
CASP1 P29466 1/20 0.79
HTT P42858 1/20 0.79
CASP7 P55210 1/20 0.79
NCOA1 Q15788 1/20 0.79
RCE1 Q9Y256 1/20 0.79
NCOA3 Q9Y6Q9 1/20 0.79
MAPT P10636 3/20 0.64
ALOX15 P16050 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL31752331 1.00 KDM4E (0.79) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7836288 0.88 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4724788 0.85 KDM4E (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4856080 0.84 ALDH1A1 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4859874 0.82 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30799595 0.82 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31751211 0.80 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1101766 0.78 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30173777 0.78 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8141564 0.76 KDM4E (0.68) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1130365-C Alpha-1 adrenergic compounds, pharmaceutical compositions containing the same and uses thereof ABBOTT CO (US) 2003-12-10 CN disclosed
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-6046207-A FOR INHIBITING ALPHA-1 ADRENORECEPTORS AND TREATING BENIGN PROSTATIC HYPERPLASIA, ALSO CALLED BENIGN PROSTATIC HYPERTROPHY, OR OTHER UROLOGICAL OR GYNECOLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER ABBOTT LABORATORIES 2000-04-04 US disclosed
CN-1246861-A Benzopyranopyrrole and benzopyranopyridine alpha-1 adrenergic compounds ABBOTT LAB (US) 2000-03-08 CN disclosed
EP-0942911-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS Abbott Laboratories (US) 1999-09-22 EP disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed
WO-1998024791-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-11 WO disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed