SCHEMBL7844280

SCHEMBL7844280

CCOC(=O)c1sc2nccnc2c1NCCOC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
PTGER4 P35408 2/20 0.40
KDM4E B2RXH2 8/20 0.40
GAA P10253 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL7848003 0.79 KDM4E (0.37) ALDH1A1TP53HSD17B10KDM4EGAA
SCHEMBL1697927 0.76 TRPM8 (0.48) ALDH1A1HSD17B10KDM4EGAARAB9A
SCHEMBL1697915 0.75 KDM4E (0.46) ALDH1A1HSD17B10KDM4EGAARAB9A
SCHEMBL1697873 0.74 KDM4E (0.54) ALDH1A1HSD17B10KDM4EGAARAB9A
SCHEMBL7848006 0.73 ALDH1A1 (0.37) ALDH1A1TP53HSD17B10KDM4EGAA
SCHEMBL14302410 0.71 TP53 (0.42) ALDH1A1TP53HSD17B10KDM4EGAA
SCHEMBL1697901 0.67 KDM4E (0.41) ALDH1A1HSD17B10KDM4EGAARAB9A
SCHEMBL16824260 0.66 PTGER4 (0.53) ALDH1A1PTGER4RAB9AMAPTHPGD
SCHEMBL1697854 0.65 KDM4E (0.38) ALDH1A1HSD17B10KDM4EGAARAB9A
SCHEMBL6502440 0.65 DHODH (0.68) ALDH1A1HSD17B10KDM4EHPGDNPSR1

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