SCHEMBL7848765

SCHEMBL7848765

COC(=O)c1sc2ncc(OC)cc2c1N

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
IKBKB O14920 1/20 0.52

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
SCHEMBL7846025 0.86 IKBKB (0.72) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL30968554 0.84 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL20722662 0.84 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL7837105 0.84 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL31167190 0.84 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL31167168 0.81 ALDH1A1 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL19212108 0.81 KDM4E (0.51) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL7848995 0.77 ALDH1A1 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL2896095 0.75 IKBKB (0.68) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL22957499 0.74 KDM4E (0.63) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1

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