SCHEMBL7845889

SCHEMBL7845889

COC(=O)c1c(NC(=O)NCCCl)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 2/20 0.45
ACACB O00763 9/20 0.45
ACACA Q13085 9/20 0.45
NPC1 O15118 1/20 0.44
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7847580 0.93 LMNA (0.50) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL6654580 0.82 LMNA (0.63) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL14222025 0.77 ACACB (0.59) LMNAACACBACACAALDH1A1CYP1A2
SCHEMBL2210016 0.73 ABCC1 (0.63) ACACBACACANPC1ABCC1ABCG2
SCHEMBL10563814 0.72 MAPK8 (0.51) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL5165684 0.72 MAPT (0.67) LMNAMAPK1NPC1ABCC1ABCG2
SCHEMBL3192118 0.71 LMNA (0.69) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL15699989 0.70 LMNA (0.58) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL6768631 0.70 GAA (0.71) LMNAMAPK1NPC1ALDH1A1MAPT
SCHEMBL3599532 0.70 LMNA (0.71) LMNAMAPK1L3MBTL1TDP1ATM

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 8 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
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 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
EP-0942911-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS Abbott Laboratories (US) 1999-09-22 EP disclosed
WO-1998024791-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-11 WO disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed