SCHEMBL8129486

SCHEMBL8129486

CCOC(=O)c1nc2ccsc2nc1NC(=O)N(Cl)CCOC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.34
NPC1 O15118 5/20 0.34
HPGD P15428 5/20 0.34
RAB9A P51151 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
PKM P14618 1/20 0.34
STAT1 P42224 1/20 0.34
LMNA P02545 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL8135069 0.94 SMN1; SMN2 (0.32) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8129358 0.89 MAPT (0.34) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8138168 0.89 NPC1 (0.35) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8129643 0.86 ALDH1A1 (0.35) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8143187 0.83 MAPK8 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL8142985 0.83 GLP1R (0.35) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8129487 0.78 NPC1 (0.33) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL8139117 0.77 CDC7 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL8139144 0.77 ALDH1A1 (0.41) SMN1; SMN2HPGDRAB9AALDH1A1MEN1
SCHEMBL8137173 0.76 NPSR1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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