SCHEMBL7848990

SCHEMBL7848990

COC(=O)c1sc2ccnc(OC)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
GLA P06280 4/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
GAA P10253 3/20 0.52
CASP1 P29466 1/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52
NCOA1 Q15788 1/20 0.52
RCE1 Q9Y256 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
MAPT P10636 3/20 0.50
ALOX15 P16050 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
IKBKB O14920 3/20 0.48
STING1 Q86WV6 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42

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
SCHEMBL7836377 0.83 KDM4E (0.52) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL8235229 0.76 HSD17B10 (0.56) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL30799600 0.75 KDM4E (0.46) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL7847377 0.75 IKBKB (0.78) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL7218005 0.74 KDM4E (0.60) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL26026228 0.74 IKBKB (0.57) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL17581136 0.74 KDM4E (0.56) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL26026100 0.73 LIMK1 (0.72) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL22905056 0.73 HSD17B10 (0.63) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL29693859 0.73 HSD17B10 (0.63) KDM4EALDH1A1GLAHPGDHSD17B10

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