SCHEMBL14816857

SCHEMBL14816857

c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)[nH]c2cc1C1=NCCCN1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 5/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PRMT8 Q9NR22 1/20 0.45
▸ NISCH Q9Y2I1 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
SCHEMBL14816832 0.96 PRMT1 (0.47) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854502 0.93 PRMT1 (0.46) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816838 0.89 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
Acetic Acid SCHEMBL14786580 0.89 PRMT1 (0.42) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816854 0.88 PRMT1 (0.44) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816831 0.86 PRMT1 (0.48) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854608 0.85 PRMT1 (0.41) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816845 0.84 PRMT1 (0.45) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854537 0.83 PRMT1 (0.59) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854584 0.83 PRMT3 (0.41) PRMT1PRMT3EHMT2PRMT6PRMT8

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
WO-2013052263-A2 ANTIFUNGAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-04-11 — — WO disclosed
WO-2013040528-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 — — WO disclosed
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