SCHEMBL7848003

SCHEMBL7848003

CCOC(=O)c1sc2nccnc2c1NC(=O)N(Cl)CCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.37
ALDH1A1 P00352 11/20 0.37
HPGD P15428 7/20 0.37
MAPT P10636 5/20 0.37
RAB9A P51151 5/20 0.37
GAA P10253 5/20 0.37
NPC1 O15118 5/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HSD17B10 Q99714 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT1 P42224 1/20 0.35

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
SCHEMBL8127546 0.85 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL7844280 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL7848006 0.78 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1697927 0.75 TRPM8 (0.48) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1697915 0.70 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1697873 0.69 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL8129486 0.68 SMN1; SMN2 (0.34) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL14302410 0.66 TP53 (0.42) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL8127548 0.65 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1697901 0.64 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTRAB9A

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-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