SCHEMBL14854514

SCHEMBL14854514

c1cc2cc(CCCc3cc4ccc(C5=NCCCN5)cc4[nH]3)[nH]c2cc1C1=NCCCN1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 6/20 0.54
▸ NISCH Q9Y2I1 4/20 0.47
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 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
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44

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
SCHEMBL14854515 0.97 PRMT1 (0.54) PRMT1NISCHGAATSHRPRMT3
SCHEMBL14854513 0.96 PRMT1 (0.56) PRMT1NISCHGAATSHRPRMT3
SCHEMBL14854585 0.85 PRMT1 (0.44) PRMT1NISCHGAATSHRPRMT3
SCHEMBL14854539 0.84 PRMT1 (0.45) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854537 0.82 PRMT1 (0.59) PRMT1NISCHGAATSHRPRMT3
SCHEMBL10125964 0.80 PRMT1 (0.63) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL14854511 0.77 PRMT1 (0.58) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL14817007 0.76 PRMT1 (0.55) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL14854595 0.76 PRMT1 (0.52) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL31621369 0.75 PRMT1 (0.57) PRMT1NISCHPRMT3EHMT2PRMT6

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-2013052263-A2 ANTIFUNGAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-04-11 — — WO disclosed
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