SCHEMBL6745405

SCHEMBL6745405

Cc1c(S)cccc1C1=NCCCN1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.51
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 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
SCHEMBL4298620 0.83 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6746100 0.77 NISCH (0.40) NISCHGAATSHR
SCHEMBL4822597 0.77 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6745419 0.75 NISCH (0.48) NISCHGAATSHR
SCHEMBL4066263 0.73 NISCH (0.62) NISCH
SCHEMBL18824746 0.71 NISCH (0.60) NISCHGAATSHRPDCD1LG2CD274
SCHEMBL11273702 0.70 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13830922 0.70 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6746742 0.70 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B
SCHEMBL14046102 0.70 NISCH (0.58) 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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed