SCHEMBL20184756

SCHEMBL20184756

N=C(N)c1ccc2cc(/C=C/c3cc4ccc(C(=N)N)cc4o3)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 11/20 1.00
▸ F2 P00734 2/20 0.46
▸ PLG P00747 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ KLK1 P06870 2/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ F10 P00742 1/20 0.45
▸ F12 P00748 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ PLAT P00750 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
SCHEMBL12412056 0.94 PRMT1 (1.00) PRMT1F2F10
SCHEMBL7979972 0.86 PRMT1 (0.88) PRMT1F2PLGPLAUPRSS1
SCHEMBL17084488 0.86 PRMT1 (0.88) PRMT1F2PLGPLAUPRSS1
SCHEMBL8815310 0.86 PRMT1 (0.88) PRMT1F2PLGPLAUPRSS1
SCHEMBL8235636 0.85 PRMT1 (1.00) PRMT1
SCHEMBL8238374 0.84 PRMT1 (1.00) PRMT1F2
SCHEMBL8229718 0.80 PRMT1 (0.89) PRMT1F2PLGPLAUPRSS1
SCHEMBL20184755 0.80 PRMT1 (1.00) PRMT1F2PLGPLAUKLK1
SCHEMBL8229699 0.79 PRMT1 (0.86) PRMT1F2PLGPLAUPRSS1
SCHEMBL5031466 0.76 F2 (0.76) PRMT1F2PLGPLAUKLK1

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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