SCHEMBL14854516

SCHEMBL14854516

c1cc2cc(-c3ccc4oc(C5=NCCCN5)cc4c3)[nH]c2cc1C1=NCCCN1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 4/20 0.88
▸ PRMT3 O60678 1/20 0.88
▸ EHMT2 Q96KQ7 1/20 0.88
▸ PRMT6 Q96LA8 1/20 0.88
▸ PRMT8 Q9NR22 1/20 0.88
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NISCH Q9Y2I1 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ TOP2A P11388 2/20 0.45
▸ TOP2B Q02880 2/20 0.45
▸ USP2 O75604 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
SCHEMBL13204583 0.93 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854546 0.92 PRMT1 (0.74) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854531 0.86 PRMT1 (0.65) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854565 0.85 PRMT1 (0.64) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854564 0.83 PRMT1 (0.62) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854537 0.83 PRMT1 (0.59) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854590 0.82 PRMT1 (0.60) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854511 0.81 PRMT1 (0.58) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14817030 0.81 PRMT1 (0.59) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14854601 0.79 PRMT1 (0.57) 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 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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