SCHEMBL28133022

SCHEMBL28133022

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.Oc1ccccc1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ MGAM O43451 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36

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
SCHEMBL2849617 1.00 F7 (0.40) F7STAT3STAT1MGAMKDM4E
SCHEMBL740996 0.91 F7 (0.35) F7STAT3STAT1MGAMKDM4E
SCHEMBL5013620 0.85 STAT3 (0.40) F7STAT3STAT1MGAMKDM4E
SCHEMBL1496170 0.84 STAT3 (0.33) STAT3STAT1
SCHEMBL5487566 0.82 NPC1 (0.42) STAT3STAT1MGAMHPGDGAA
SCHEMBL29062202 0.82 STAT3 (0.40) STAT3STAT1
SCHEMBL29489406 0.82 NPC1 (0.42) STAT3STAT1KDM4EHPGDHSD17B10
SCHEMBL5013661 0.82 STAT3 (0.40) STAT3STAT1KDM4EHPGDHSD17B10
SCHEMBL9764311 0.82 KDM4E (0.42) STAT3STAT1MGAMKDM4EHPGD
SCHEMBL5067202 0.82 NPC1 (0.42) STAT3STAT1KDM4EHPGDHSD17B10

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
CN-106572914-A Compositions, devices, kits and methods for attaching stent-containing medical devices to tissue 波士顿科学国际有限公司 2017-04-19 — — CN disclosed
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