SCHEMBL8129358

SCHEMBL8129358

CCCCN(Cl)C(=O)Nc1nc2sccc2nc1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT1 P42224 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PDE4A P27815 1/20 0.32

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
SCHEMBL8138168 0.90 NPC1 (0.35) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL8129486 0.89 SMN1; SMN2 (0.34) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL8129643 0.86 ALDH1A1 (0.35) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL8135069 0.86 SMN1; SMN2 (0.32) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL8143187 0.84 MAPK8 (0.42) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL8142985 0.84 GLP1R (0.35) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL8127687 0.80 LMNA (0.41) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL8139117 0.78 CDC7 (0.43) MAPTALDH1A1TDP1CYP1A2NPC1
SCHEMBL8129351 0.78 MAPT (0.32) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL8137173 0.77 NPSR1 (0.40) MAPTALDH1A1CYP1A2CYP2C19NPC1

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