SCHEMBL27910482

SCHEMBL27910482

COc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1.[Cu]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ PKM P14618 2/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 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
SCHEMBL9590022 0.99 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL28249687 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL27968431 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL8003382 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL28843869 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL28098901 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL28442526 0.97 NPC1 (0.40) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29234775 0.96 AURKA (0.39) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29089406 0.96 AURKA (0.39) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28098904 0.96 AURKA (0.39) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193786-A Water-soluble fullerene-tetra(p-hydroxy phenyl) porphyrin as well as preparation method and application thereof INST NUCLEAR PHYSICS & CHEMISTRY CHINA ACAD ENG PHYSICS 2013-07-10 — — CN claimed
CN-112430830-B Preparation method and application of electrocatalytic reduction carbon dioxide electrode 大连理工大学 2022-03-29 — — CN disclosed
CN-111617644-B Preparation method of monolithic polyaryletherketone bipolar membrane with side chain containing porphyrin water dissociation catalytic group 福建师范大学 2022-03-15 — — CN disclosed
CN-112430830-A Preparation method and application of electrocatalytic reduction carbon dioxide electrode 大连理工大学 2021-03-02 — — CN disclosed
CN-111617644-A Preparation method of monolithic polyaryletherketone bipolar membrane with side chain containing porphyrin water dissociation catalytic group 福建师范大学 2020-09-04 — — CN disclosed
CN-103193786-A Water-soluble fullerene-tetra(p-hydroxy phenyl) porphyrin as well as preparation method and application thereof INST NUCLEAR PHYSICS & CHEMISTRY CHINA ACAD ENG PHYSICS 2013-07-10 — — CN disclosed
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