SCHEMBL28130725

SCHEMBL28130725

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.COc1ccc([Mn](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GFER P55789 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL28142259 0.83 ACHE (0.39) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27971513 0.83 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8003377 0.83 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28546516 0.83 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Anisole SCHEMBL28270507 0.82 CA4 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28130054 0.81 NPC1 (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28455870 0.81 L3MBTL1 (0.37) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2816852 0.81 CCNB2 (0.35) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Methoxymethane SCHEMBL28698428 0.79 STAT3 (0.38) —
Methoxymethane SCHEMBL27581743 0.79 STAT3 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106711467-A Preparation method and application of platinum and core-shell structure carbon composite electrocatalyst 大连理工大学 2017-05-24 — — CN claimed
CN-106654307-A Preparation method and application of noble metal@graphite layer core-shell structured electro-catalyst 大连理工大学 2017-05-10 — — CN claimed
CN-104707656-B A kind of preparation method and application of Supported macrocyclic compound elctro-catalyst 中国科学院大连化学物理研究所 2017-03-15 — — CN claimed
CN-106711467-A Preparation method and application of platinum and core-shell structure carbon composite electrocatalyst 大连理工大学 2017-05-24 — — CN disclosed
CN-106654307-A Preparation method and application of noble metal@graphite layer core-shell structured electro-catalyst 大连理工大学 2017-05-10 — — CN disclosed
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