SCHEMBL13831444

SCHEMBL13831444

Fc1ccccc1C1=NCCCCN1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 14/20 0.77
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TOP2A P11388 2/20 0.45
▸ TOP2B Q02880 2/20 0.45
▸ PDCD1LG2 Q9BQ51 1/20 0.40
▸ CD274 Q9NZQ7 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
SCHEMBL18824746 0.81 NISCH (0.60) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11285269 0.79 NISCH (0.51) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13830897 0.77 NISCH (0.56) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13831048 0.76 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
SCHEMBL18824710 0.75 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7486584 0.74 NISCH (0.50) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4066929 0.74 NISCH (0.51) NISCHGAATSHR
SCHEMBL13830922 0.74 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11273702 0.74 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4822597 0.74 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B

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
WO-2012153768-A1 MEDICINAL AGENT CONTAINING PYRMIDOBENZOTHIAZIN-6-IMINE DERIVATIVE OR SALT THEREOF FOR PREVENTION AND/OR TREATMENT OF VIRAL INFECTION 富士フイルム株式会社 (JP) 2012-11-15 — — WO disclosed
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