SCHEMBL7714759

SCHEMBL7714759

C[Si](C)(C)C#Cc1cc[nH]c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ELANE P08246 2/20 0.33
DYRK1A Q13627 1/20 0.33
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
BRD4 O60885 1/20 0.30
TAF1 P21675 1/20 0.30
BRPF1 P55201 1/20 0.30
CREBBP Q92793 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30

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
SCHEMBL31721332 0.80 AXL (0.36) BRD4
SCHEMBL1722320 0.73 GRM5 (0.51)
SCHEMBL250311 0.72
SCHEMBL7710156 0.71 GPR84 (0.37) ADORA2AADORA1ELANE
SCHEMBL6861227 0.71 GRM5 (0.42)
SCHEMBL27890594 0.69 PDE3B (0.39)
SCHEMBL23213572 0.68
SCHEMBL13392361 0.67 GRM5 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8080125 0.67 ADORA2A (0.35) ADORA2AADORA1ELANEDYRK1A
SCHEMBL27160636 0.67 ALDH2 (0.37) DYRK1AGABRA1GABRG2GABRB3GABRA5

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
US-6369040-B1 INCORPORATING A COMPLEMENTARY SEQUENCES FOR HERPES, PAPILLOMA AND OTHER VIRUSES ISIS PHARMACEUTICALS, INC. 2002-04-09 US disclosed
US-6127333-A COMPRISING OLIGOPEPTIDES, HAVING AMINO ACID SEQUENCES THAT ARE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN AND KNOWN CYTOTOXIC AGENTS, CHARACTERIZED BY A DIAMINE LINKER BETWEEN THE OLIGOPEPTIDE AND VINBLASTINE MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-6060592-A Pyrimidine nucleoside compounds and oligonucleoside compounds containing same ISIS PHARMACEUTICALS, INC. (US) 2000-05-09 US disclosed
WO-1995024185-A1 NOVEL PYRIMIDINE NUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-09-14 WO disclosed