SCHEMBL20184751

SCHEMBL20184751

C(=C/c1cc2cc(C3=NCCN3)ccc2o1)\c1ccc(C2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 9/20 1.00
▸ PRMT3 O60678 1/20 0.50
▸ EHMT2 Q96KQ7 1/20 0.50
▸ PRMT6 Q96LA8 1/20 0.50
▸ PRMT8 Q9NR22 1/20 0.50
▸ NISCH Q9Y2I1 3/20 0.48
▸ TOP2A P11388 2/20 0.47
▸ TOP2B Q02880 2/20 0.47
▸ BLM P54132 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ APP P05067 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
SCHEMBL8235621 0.94 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235643 0.94 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184765 0.93 PRMT1 (0.86) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL12711215 0.88 PRMT1 (0.79) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8238368 0.87 PRMT1 (0.77) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235330 0.83 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235629 0.82 PRMT1 (0.86) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL12736178 0.82 PRMT1 (0.69) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8300739 0.80 PRMT1 (0.66) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL9575289 0.79 PRMT1 (0.64) PRMT1NISCHTOP2ATOP2BBLM

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
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 — — EP disclosed
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