Sugi Predict

Sugi Predict / Compounds / SCHEMBL28667339

SCHEMBL28667339

SCHEMBL28667339

Cc1ccccc1C(=O)ON=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.60
▸ RAB9A P51151 8/20 0.60
▸ PLK1 P53350 3/20 0.54
▸ PLK2 Q9NYY3 2/20 0.54
▸ KMT2A Q03164 6/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ PLK3 Q9H4B4 1/20 0.48
▸ XDH P47989 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ ESR1 P03372 1/20 0.45

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
SCHEMBL28702214 0.82 RAB9A (0.58) NPC1RAB9APLK1PLK2KMT2A
SCHEMBL777261 0.79 NPC1 (0.53) NPC1RAB9APLK1PLK2KMT2A
SCHEMBL29436920 0.79 NPC1 (0.53) NPC1RAB9APLK1PLK2KMT2A
SCHEMBL127127 0.79 NPC1 (0.53) NPC1RAB9APLK1PLK2KMT2A
SCHEMBL27457284 0.78 ALDH1A1 (0.58) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL28979334 0.77 NPC1 (0.56) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL28681188 0.77 HPGD (0.66) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL248052 0.77 KMT2A (0.53) NPC1RAB9APLK1PLK2KMT2A
SCHEMBL101601 0.77 TSHR (0.63) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL29702037 0.77 TSHR (0.63) NPC1RAB9AKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979955-B Preparation method of heterocyclic ester compound 河南农业大学 2024-05-14 — — CN claimed
CN-116899494-A Preparation method of oxime proxetil synthesis intermediate o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-10-20 — — CN claimed
CN-116651335-A Preparation method of o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-08-29 — — CN claimed
CN-113979955-A Preparation method of heterocyclic ester compound 河南农业大学 2022-01-28 — — CN claimed
CN-113666841-A Preparation method of o-methyl benzoyl nitrile 抚顺顺能化工有限公司 2021-11-19 — — CN claimed
CN-113979955-B Preparation method of heterocyclic ester compound 河南农业大学 2024-05-14 — — CN disclosed
CN-116899494-A Preparation method of oxime proxetil synthesis intermediate o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-10-20 — — CN disclosed
CN-116899494-A Preparation method of oxime proxetil synthesis intermediate o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-10-20 — — CN disclosed
CN-116899494-A Preparation method of oxime proxetil synthesis intermediate o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-10-20 — — CN disclosed
CN-116651335-A Preparation method of o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-08-29 — — CN disclosed
CN-116651335-A Preparation method of o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-08-29 — — CN disclosed
CN-116651335-A Preparation method of o-methylbenzoyl nitrile 江西欧氏化工有限公司 2023-08-29 — — CN disclosed
CN-113845451-B Method for preparing trione herbicide 沈阳中化农药化工研发有限公司 2023-07-14 — — CN disclosed
CN-113979955-A Preparation method of heterocyclic ester compound 河南农业大学 2022-01-28 — — CN disclosed
CN-113845451-A Method for preparing triketone herbicide 沈阳中化农药化工研发有限公司 2021-12-28 — — CN disclosed
CN-113666841-A Preparation method of o-methyl benzoyl nitrile 抚顺顺能化工有限公司 2021-11-19 — — CN disclosed
CN-113666841-A Preparation method of o-methyl benzoyl nitrile 抚顺顺能化工有限公司 2021-11-19 — — CN disclosed