SCHEMBL7848006

SCHEMBL7848006

CCOC(=O)c1sc2nccnc2c1N(CCOC)C(=O)NCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.37
KDM4E B2RXH2 10/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 3/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
HTT P42858 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HPGD P15428 7/20 0.35
GAA P10253 5/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL8127548 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHSD17B10HTT
SCHEMBL7848003 0.78 KDM4E (0.37) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL1697854 0.73 KDM4E (0.38) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL7844280 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL1697901 0.70 KDM4E (0.41) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL1697915 0.70 KDM4E (0.46) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL1697873 0.69 KDM4E (0.54) ALDH1A1KDM4ELMNAHSD17B10CDC7
SCHEMBL8129487 0.68 NPC1 (0.33) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8127546 0.65 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHSD17B10HTT
SCHEMBL1697927 0.64 TRPM8 (0.48) ALDH1A1KDM4ELMNAHSD17B10CDC7

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 2 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-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