SCHEMBL8128482

SCHEMBL8128482

CCOC(=O)c1nc2ccsc2nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 4/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 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
SCHEMBL8933479 0.84 NPSR1 (0.53) ALDH1A1CYP1A2MAPTRAB9AMEN1
SCHEMBL8139117 0.82 CDC7 (0.43) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL8137173 0.81 NPSR1 (0.40) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL8144240 0.79 NPC1 (0.37) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL8127687 0.77 LMNA (0.41) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL8138184 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL2843820 0.76 ALDH1A1 (0.59) ALDH1A1CYP1A2MAPTRAB9ANPC1
SCHEMBL8144214 0.76 NPSR1 (0.58) ALDH1A1CYP1A2MAPTRAB9AMEN1
SCHEMBL8129645 0.76 HPGD (0.35) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL8129643 0.76 ALDH1A1 (0.35) ALDH1A1CYP1A2MAPTRAB9ANPC1

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 4 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
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 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