SCHEMBL7848830

SCHEMBL7848830

COC(=O)c1sc2ncc(-c3ccsc3)nc2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
AXL P30530 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7846767 0.83 MEN1 (0.53) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL7845928 0.81 ATR (0.45) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL27508252 0.80 NEK2 (0.39) KDM4ENPC1
SCHEMBL7847882 0.75 KDM4E (0.48) KDM4EALDH1A1MAPTL3MBTL1NPC1
SCHEMBL7836259 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL19210908 0.73 KDM4E (0.46) KDM4EALDH1A1MAPTL3MBTL1NPC1
SCHEMBL4116375 0.73 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1NPC1
SCHEMBL10328675 0.70 KDM4E (0.50) KDM4EALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL21457814 0.69 KDM4E (0.63) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL1918789 0.66 KDM4E (0.52) KDM4EMAPK1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 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
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