SCHEMBL14854581

SCHEMBL14854581

N=C(N)c1ccc2nc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 5/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ PLG P00747 4/20 0.48
▸ PRMT5 O14744 1/20 0.47
▸ PRMT3 O60678 1/20 0.47
▸ CARM1 Q86X55 1/20 0.47
▸ EHMT2 Q96KQ7 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ PRMT8 Q9NR22 1/20 0.47
▸ PRMT7 Q9NVM4 1/20 0.47

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
SCHEMBL14854551 0.89 PRMT1 (0.50) PRMT3EHMT2PRMT6PRMT1PRMT8
SCHEMBL14854606 0.81 PRMT1 (0.55) PRMT5PRMT3CARM1EHMT2PRMT6
SCHEMBL14854539 0.79 PRMT1 (0.45) PLAUPLGPRMT5PRMT3CARM1
SCHEMBL14854537 0.79 PRMT1 (0.59) PRMT3EHMT2PRMT6PRMT1PRMT8
SCHEMBL14854584 0.78 PRMT3 (0.41) PRMT5PRMT3CARM1EHMT2PRMT6
SCHEMBL14854580 0.77 PRMT3 (0.40) PRMT5PRMT3CARM1EHMT2PRMT6
SCHEMBL14854582 0.77 PRMT1 (0.49) PRMT5PRMT3CARM1EHMT2PRMT6
SCHEMBL14519390 0.76 PLAU (0.86) PLAUPRSS1PLG
SCHEMBL24312987 0.75 GAA (0.56) —
SCHEMBL14854511 0.75 PRMT1 (0.58) PRMT3EHMT2PRMT6PRMT1PRMT8

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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