SCHEMBL7961683

SCHEMBL7961683

CN(C)CCOc1ccccc1-c1nc(-c2ccccc2Cl)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HTR7 P34969 2/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
TSHR P16473 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
TTR P02766 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL7957242 0.95 SMN1; SMN2 (0.50) CASP3SENP8SENP7SENP6HTR7
SCHEMBL7954897 0.91 HTR7 (0.56) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7958614 0.90 NPC1 (0.50) CASP3SENP8SENP7SENP6HTR7
SCHEMBL7956815 0.86 HTR7 (0.66) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7960663 0.86 SMN1; SMN2 (0.52) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7956790 0.86 TTR (0.54) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7958835 0.85 HTR7 (0.50) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7964562 0.85 NPC1 (0.51) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7947807 0.85 HTR7 (0.56) HTR7ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL7958824 0.85 SMN1; SMN2 (0.51) CASP3HTR7ALDH1A1SMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed