SCHEMBL8129368

SCHEMBL8129368

CONC(=O)c1ccc(Cl)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.44
S1PR3 Q99500 7/20 0.43
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
GRM4 Q14833 1/20 0.43
HPGD P15428 1/20 0.42
VNN1 O95497 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6866955 0.83 ALDH1A1 (0.54) GRM4HPGDVNN1MAPTKDM4E
SCHEMBL28253118 0.83 S1PR3 (0.46) S1PR3GRM4HPGDVNN1SLC6A2
SCHEMBL6869441 0.82 S1PR3 (0.52) S1PR3S1PR1LMNA
SCHEMBL13527528 0.80 HPGD (0.61) HPGDSLC6A2SLC6A3MAPTKDM4E
SCHEMBL15938538 0.80 MAPK13 (0.44) MAPK3S1PR3MAPK13MAPK12MAPK11
SCHEMBL8139092 0.77 VCAM1 (0.46) S1PR3GRM4VNN1SLC6A2SLC6A3
SCHEMBL24494667 0.77 VCAM1 (0.46) S1PR3GRM4VNN1MAPTMEN1
SCHEMBL15867032 0.77 VNN1 (0.56) S1PR3GRM4VNN1MAPTMRGPRX4
SCHEMBL7491104 0.77 HPGD (0.50) HPGDVNN1KDM4EALDH1A1LMNA
SCHEMBL13568210 0.76 HPGD (0.45) HPGDSLC6A2SLC6A3MAPTKDM4E

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-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 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