SCHEMBL28919689

SCHEMBL28919689

O=C(O)c1ccccc1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Mn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ DHODH Q02127 10/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL455572 0.99 KDM4E (0.47) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL29253951 0.97 KDM4E (0.46) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL28827036 0.97 KDM4E (0.46) KDM4ERAB9APOLBSTAT3STAT1
Hydrochloric Acid SCHEMBL8765412 0.97 KDM4E (0.46) KDM4ERAB9APOLBSTAT3STAT1
Phthalic Acid SCHEMBL28444843 0.83 ALDH1A1 (0.48) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL30583773 0.83 STAT3 (0.55) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL29062206 0.83 STAT3 (0.55) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL27827077 0.82 STAT3 (0.37) KDM4EPOLBSTAT3STAT1MEN1
SCHEMBL30583769 0.81 STAT3 (0.53) KDM4ERAB9APOLBSTAT3STAT1
SCHEMBL1998702 0.81 STAT3 (0.56) KDM4ERAB9APOLBSTAT3STAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115501187-B Metalloporphyrin-based nanoparticle, preparation method and application 四川大学 2023-07-14 — — CN disclosed
CN-115501187-A Metal porphyrin-based nanoparticles, preparation method and application 四川大学 2022-12-23 — — CN disclosed
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