SCHEMBL7846101

SCHEMBL7846101

COC(=O)c1sc2c(Cl)nccc2c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
HTT P42858 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
NCOA1 Q15788 1/20 0.56
RCE1 Q9Y256 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL31456457 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31456460 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1811979 0.84 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31456425 0.82 LIMK1 (0.38) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL1808140 0.80 KMT2A (0.41) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7846539 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL7836377 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8139114 0.77 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL27508251 0.75 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31456442 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10GLA

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