SCHEMBL8129643

SCHEMBL8129643

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT1 P42224 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
GLP1R P43220 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34

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) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8142985 0.88 GLP1R (0.35) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8129358 0.86 MAPT (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8129486 0.86 SMN1; SMN2 (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8143187 0.85 MAPK8 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8135069 0.82 SMN1; SMN2 (0.32) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8139117 0.82 CDC7 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8137173 0.81 NPSR1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8144240 0.79 NPC1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8129645 0.78 HPGD (0.35) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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