SCHEMBL7140384

SCHEMBL7140384

O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1ncn2[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ ADORA3 P0DMS8 5/20 0.51
▸ ADORA2A P29274 5/20 0.46
▸ ADORA1 P30542 2/20 0.45
▸ ADORA2B P29275 1/20 0.44
▸ AHCY P23526 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GNMT Q14749 1/20 0.41
▸ HSP90B1 P14625 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13208057 1.00 LMNA (0.59) LMNAADORA3ADORA2AADORA1ADORA2B
SCHEMBL13208052 0.89 LMNA (0.59) LMNAADORA3ADORA2AADORA1ADORA2B
SCHEMBL7131480 0.89 LMNA (0.59) LMNAADORA3ADORA2AADORA1ADORA2B
SCHEMBL13898193 0.80 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20482906 0.78 LMNA (0.64) LMNAADORA3ADORA2AADORA2BCYP1A2
SCHEMBL31160178 0.78 LMNA (0.79) LMNAADORA2AADORA2BCYP1A2
SCHEMBL17706392 0.78 ADORA3 (0.65) ADORA3ADORA2AADORA1
SCHEMBL7715231 0.77 HIF1A (0.57) LMNAHIF1A
SCHEMBL31160186 0.76 LMNA (0.66) LMNAADORA2AADORA2BCYP1A2HIF1A
SCHEMBL20149800 0.75 LMNA (0.61) LMNAADORA2AADORA2B

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-6506896-B1 Conjugated to peptides, proteins, nucleic acids, antibodies, RNA, or DNA; medical diagnosis, electronics NANOGEN RECOGNOMICS GMBH (DE) 2003-01-14 — — US disclosed
Send feedback