SCHEMBL8129487

SCHEMBL8129487

CCOC(=O)c1nc2ccsc2nc1N(CCOC)C(=O)NCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 6/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
PKM P14618 2/20 0.32
STAT1 P42224 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 2/20 0.32
GLP1R P43220 1/20 0.32
NPSR1 Q6W5P4 3/20 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
SCHEMBL8135070 0.94 MAPT (0.32) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8129351 0.89 MAPT (0.32) NPC1RAB9AMAPTCYP2C9TDP1
SCHEMBL8138171 0.89 GLP1R (0.34) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8143190 0.83 KMT2A (0.43) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8129645 0.83 HPGD (0.35) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8129486 0.78 SMN1; SMN2 (0.34) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8135069 0.74 SMN1; SMN2 (0.32) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8128482 0.71 ALDH1A1 (0.46) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8129643 0.71 ALDH1A1 (0.35) NPC1RAB9AMAPTKDM4ECYP2C9
SCHEMBL8139144 0.71 ALDH1A1 (0.41) RAB9AMAPTKDM4ECYP2C9HPGD

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