SCHEMBL8129351

SCHEMBL8129351

CCCCN(C(=O)NCl)c1nc2sccc2nc1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
CYP2C9 P11712 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
GLP1R P43220 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PKM P14618 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8138171 0.90 GLP1R (0.34) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8129487 0.89 NPC1 (0.33) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8135070 0.86 MAPT (0.32) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8143190 0.84 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8129645 0.84 HPGD (0.35) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8129358 0.78 MAPT (0.34) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8127687 0.73 LMNA (0.41) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8128482 0.72 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8129643 0.72 ALDH1A1 (0.35) MAPTKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8139117 0.71 CDC7 (0.43) MAPTKMT2AALDH1A1MEN1CYP2C9

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