SCHEMBL16500277

SCHEMBL16500277

[N-]=[N+]=Nc1ccc(C=C2CCCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ EGFR P00533 1/20 0.42
▸ PLAU P00749 2/20 0.40
▸ PLAT P00750 1/20 0.40
▸ HSD11B1 P28845 2/20 0.39
▸ F3 P13726 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ F2 P00734 10/20 0.39
▸ F10 P00742 9/20 0.38
▸ HPN P05981 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL20572299 1.00 AKR1C3 (0.53) AKR1C3AKR1C1NPC1MAPTHPGD
SCHEMBL17203060 0.88 AKR1C3 (0.46) AKR1C3AKR1C1NPC1MAPTHPGD
SCHEMBL17203062 0.88 AKR1C3 (0.46) AKR1C3AKR1C1NPC1MAPTHPGD
SCHEMBL23663603 0.86 CYP1A2 (0.56) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19639836 0.86 CYP1A2 (0.56) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14127105 0.86 CYP1A2 (0.56) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL28536479 0.78 CA1 (0.38) PTGS2
SCHEMBL27547767 0.77 NPC1 (0.38) AKR1C3AKR1C1NPC1MAPTHPGD
SCHEMBL28506358 0.75 MAPT (0.43) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL28351724 0.74 F2 (0.41) AKR1C3AKR1C1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108700835-B Resist pattern forming method and resist 日本瑞翁株式会社 2022-05-27 — — CN disclosed
CN-114512296-A Superconducting coil device and method for manufacturing the same 公益财团法人铁道综合技术研究所 2022-05-17 — — CN disclosed
CN-110574130-B Use of polymerizable composition 公益财团法人铁道综合技术研究所 2022-04-19 — — CN disclosed
CN-113994257-A Photosensitive polyimide resin composition 合肥汉之和新材料科技有限公司 2022-01-28 — — CN disclosed
CN-112204087-A Composite material and composite material molded body RIMTEC株式会社 2021-01-08 — — CN disclosed
CN-109153197-B Method for producing composite material molded body RIMTEC株式会社 2020-11-03 — — CN disclosed
CN-108602940-B Polymerizable composition and composite material RIMTEC株式会社 2020-09-01 — — CN disclosed
CN-110574130-A superconducting coil device and method for manufacturing the same 公益财团法人铁道综合技术研究所 2019-12-13 — — CN disclosed
US-10147974-B2 Battery separator membrane and battery employing same DIOXIDE MATERIALS, INC (US) 2018-12-04 — — US disclosed
EP-2372811-B1 SEPARATOR FOR LITHIUM ION SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY ZEON CORP (JP) 2015-02-25 — — EP disclosed
CN-101981505-A Immersion automatic development apparatus and automatic development method for manufacturing planographic printing plate FUJIFILM CORP 2011-02-23 — — CN disclosed
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