SCHEMBL10432005

SCHEMBL10432005

O=C(Nc1nc([Hg]Cl)nc2nc[nH]c12)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.62
NT5C2 P49902 2/20 0.54
STAT3 P40763 3/20 0.53
NT5E P21589 1/20 0.52
CREBBP Q92793 1/20 0.47
HDAC1 Q13547 1/20 0.46
AURKA O14965 1/20 0.42
BTK Q06187 1/20 0.41
TOP2A P11388 1/20 0.40

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
SCHEMBL5694204 0.84 BRD4 (0.66) BRD4NT5C2STAT3NT5ECREBBP
SCHEMBL5694052 0.82 BRD4 (0.67) BRD4NT5C2STAT3NT5ECREBBP
SCHEMBL8121393 0.82 STAT3 (0.69) BRD4NT5C2STAT3NT5ECREBBP
SCHEMBL2514195 0.81 BRD4 (0.47) BRD4NT5C2STAT3NT5E
SCHEMBL475842 0.81 BRD4 (0.66) BRD4NT5C2STAT3NT5ECREBBP
SCHEMBL8446397 0.80 BRD4 (0.64) BRD4NT5C2STAT3NT5ECREBBP
SCHEMBL29514799 0.77 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL23124 0.77 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL6463477 0.76 BRD4 (0.92) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL8381776 0.76 BRD4 (0.97) BRD4NT5C2NT5ECREBBPBTK

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
CN-102424698-A Modified 2' and 3' -nucleoside produgs for treating flaviridae infections CENTRE NAT RECH SCIENT (FR) 2012-04-25 CN disclosed
EP-0391411-A2 3'-Substituted methyl nucleosides as antiviral agents Bristol-Myers Squibb Company (US) 1990-10-10 EP disclosed