SCHEMBL21335771

SCHEMBL21335771

c1cc2cc(C3NCCN3)ccc2cc1C1=NCCN1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 11/20 0.63
▸ PRMT1 Q99873 2/20 0.50

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
SCHEMBL13135587 0.84 NISCH (0.86) NISCHPRMT1
Hydrochloric Acid SCHEMBL5562588 0.82 NISCH (0.83) NISCHPRMT1
Benazoline SCHEMBL9575180 0.78 NISCH (1.00) NISCHPRMT1
Benazoline SCHEMBL29349712 0.78 NISCH (1.00) NISCHPRMT1
SCHEMBL8195553 0.72 NISCH (0.87) NISCH
SCHEMBL5476725 0.71 NISCH (0.79) NISCH
SCHEMBL7735671 0.71 NISCH (0.74) NISCHPRMT1
SCHEMBL5028113 0.71 PRMT1 (0.68) NISCHPRMT1
SCHEMBL7738682 0.70 NISCH (0.63) NISCHPRMT1
SCHEMBL14865430 0.69 NISCH (0.79) NISCHPRMT1

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
EP-2817359-B9 CUCURBITURIL-BASED HYDROGELS CAMBRIDGE ENTPR LTD (GB) 2020-03-25 — — EP disclosed
EP-2817359-B1 CUCURBITURIL-BASED HYDROGELS CAMBRIDGE ENTPR LTD (GB) 2019-09-11 — — EP disclosed
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