SCHEMBL7845928

SCHEMBL7845928

COC(=O)c1sc2ncc(-c3ccoc3)nc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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 0.82 MEN1 (0.53) ATRKDM4EALDH1A1MAPTHPGD
SCHEMBL7848830 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL27466901 0.80 ATR (0.40) ATRKDM4EMAPTMEN1NPC1
SCHEMBL3585698 0.76 ATR (0.65) ATRMAPK1
SCHEMBL7847882 0.74 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL7836259 0.74 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL19210908 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL4116375 0.70 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL1698106 0.69 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL21457814 0.68 KDM4E (0.63) KDM4EALDH1A1MAPTHPGDHSD17B10

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