SCHEMBL7986903

SCHEMBL7986903

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1cccnc1)[C@@H](COCc1ccccc1)OCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
NAPRT Q6XQN6 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL7985922 0.87 CA1 (0.47) PRMT5WDR77CA1CA2CA7
SCHEMBL5742123 0.87 CA1 (0.56) CA1CA2CA7CA9KMT2A
SCHEMBL7511915 0.81 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL7989918 0.81 CA1 (0.50) PRMT5WDR77CA1CA2CA7
SCHEMBL7515243 0.81 PRMT5 (0.42) PRMT5WDR77CA1CA2CA7
SCHEMBL7986919 0.80 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7988903 0.80 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7987465 0.78 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL7504436 0.78 SMN1; SMN2 (0.48) PRMT5WDR77CA1CA2CA7
SCHEMBL6549684 0.78 CA1 (0.47) CA1CA2CA7CA9KMT2A

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed