SCHEMBL29520117

SCHEMBL29520117

O=C(O)C1(c2ccccn2)C=CC=CN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33

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
SCHEMBL16238565 1.00 LMNA (0.36) LMNANAPRTP4HTML3MBTL1NPC1
SCHEMBL233288 0.87 OPRM1 (0.33) LMNANAPRTP4HTML3MBTL1NPC1
SCHEMBL28723105 0.85 CES2 (0.32) LMNANAPRTP4HTML3MBTL1CES2
SCHEMBL28864048 0.80 GPR119 (0.35) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27966131 0.79 L3MBTL1 (0.37) LMNAL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3451078 0.77 AKR1C1 (0.36) LMNAKMT2AMEN1
SCHEMBL29195537 0.75 KMT2A (0.34) LMNANAPRTP4HTML3MBTL1NPC1
SCHEMBL28774979 0.75 PTPRA (0.34) LMNANAPRTP4HTML3MBTL1NPC1
SCHEMBL28864054 0.74 CHRM2 (0.36) LMNAP4HTMKDM4EOPRM1OPRD1
SCHEMBL30530462 0.71 KDM4E (0.32) NPC1RAB9ASMN1; SMN2KMT2AKDM4E

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-115317621-A Carbon monoxide and iron chelator targeted combined controllable drug delivery nano-composite medicine system and preparation method thereof 华东理工大学 2022-11-11 — — CN claimed
CN-113979915-B Dopamine D 2 Receptor dual ligand compounds and uses 常州大学 2023-07-25 — — CN disclosed
EP-4178797-A1 LAMINATED GLASS WITH ANTI-COUNTERFEITING PROPERTIES Kuraray Europe GmbH (DE) 2023-05-17 — — EP disclosed
CN-115317621-A Carbon monoxide and iron chelator targeted combined controllable drug delivery nano-composite medicine system and preparation method thereof 华东理工大学 2022-11-11 — — CN disclosed
CN-114307979-A Metal oxide @ cyclodextrin polymer material and preparation method and application thereof 华南理工大学 2022-04-12 — — CN disclosed
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