SCHEMBL7361609

SCHEMBL7361609

O=C1N[C@@H](CC2CCCCC2)C(c2cccs2)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7361604 1.00 ADORA2B (0.38) ADORA2BKDM4EHSD17B10HPGDPKM
SCHEMBL7321057 1.00 ADORA2B (0.38) ADORA2BKDM4EHSD17B10HPGDPKM
SCHEMBL7269604 0.78 ADORA2B (0.40) ADORA2BKDM4EHSD17B10HPGDKMT2A
SCHEMBL7269607 0.78 ADORA2B (0.40) ADORA2BKDM4EHSD17B10HPGDKMT2A
SCHEMBL7285419 0.78 ADORA2B (0.40) ADORA2BKDM4EHSD17B10HPGDKMT2A
SCHEMBL7300104 0.78 ADORA2B (0.40) ADORA2BKDM4EHSD17B10HPGDKMT2A
SCHEMBL7278836 0.77 POLB (0.36) HTTMEN1KMT2A
SCHEMBL7278830 0.77 POLB (0.36) HTTMEN1KMT2A
SCHEMBL7319306 0.74 KDM4E (0.39) ADORA2BKDM4EHSD17B10HPGDPKM
SCHEMBL7319314 0.74 KDM4E (0.39) ADORA2BKDM4EHSD17B10HPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed