SCHEMBL26987104

SCHEMBL26987104

O=C1NCC=C(c2ccccc2[N+](=O)[O-])N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN1 P18031 1/20 0.42
▸ S100A4 P26447 2/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40

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
SCHEMBL29614540 0.88 ALDH1A1 (0.36) ALDH1A1TDP1PTPN1S100A4GSK3B
SCHEMBL28995691 0.78 ALDH1A1 (0.49) ALDH1A1TDP1PTPN1S100A4GSK3B
SCHEMBL9656405 0.76 ALDH1A1 (0.47) ALDH1A1TDP1PTPN1S100A4GSK3B
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL29556724 0.71 MAPT (0.52) ALDH1A1TDP1KDM4EMAPTCYP1A2
SCHEMBL169673 0.69 MAPT (0.65) ALDH1A1TDP1GSK3BKDM4EMAPT
SCHEMBL30987815 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
Ammonia Solution, Strong SCHEMBL9060371 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL29337140 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577181-A1 ORAL CARE COMPOSITIONS Adyani Consulting Corp. (US) 2025-07-02 — — EP disclosed
EP-4525821-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT Firmenich Incorporated (US) 2025-03-26 — — EP disclosed
EP-4499026-A1 STABLE DENTIFRICE COMPOSITIONS WITH HIGH SODIUM BICARBONATE LOADING Lubrizol Advanced Materials, Inc. (US) 2025-02-05 — — EP disclosed
CN-118973537-A Stable dentifrice composition with high sodium bicarbonate loading 路博润先进材料公司 2024-11-15 — — CN disclosed
CN-115209861-B Oral care composition for gingival health 宝洁公司 2024-11-12 — — CN disclosed
CN-115209860-B Oral care composition for gingival health 宝洁公司 2024-09-06 — — CN disclosed
CN-117835952-A Oral care composition for gingival health 宝洁公司 2024-04-05 — — CN disclosed
CN-117835961-A Oral care composition for gingival health 宝洁公司 2024-04-05 — — CN disclosed
WO-2024042191-A1 ORAL CARE COMPOSITIONS BLISSANDMORE GMBH (DE) 2024-02-29 — — WO disclosed
EP-4304385-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT Firmenich Incorporated (US) 2024-01-17 — — EP disclosed
WO-2024011086-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT FIRMENICH INCORPORATED (US) 2024-01-11 — — WO disclosed
WO-2023191852-A1 STABLE DENTIFRICE COMPOSITIONS WITH HIGH SODIUM BICARBONATE LOADING LUBRIZOL ADVANCED MATERIALS, INC. (US) 2023-10-05 — — WO disclosed
WO-2022251628-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT FIRMENICH INCORPORATED (US) 2022-12-01 — — WO disclosed
CN-115209860-A Oral care compositions for gum health 宝洁公司 2022-10-18 — — CN disclosed
CN-115209861-A Oral care compositions for gum health 宝洁公司 2022-10-18 — — CN disclosed
CN-114080210-A Pouch containing an oral care active 宝洁公司 2022-02-22 — — CN disclosed
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