SCHEMBL11147994

SCHEMBL11147994

O=C1C(=O)N(CCCCBr)c2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ ALDH3A1 P30838 6/20 0.62
▸ ALDH2 P05091 4/20 0.62
▸ ACHE P22303 3/20 0.60
▸ CUL4A Q13619 1/20 0.57
▸ CES1 P23141 3/20 0.56
▸ BCHE P06276 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CDC25A P30304 1/20 0.46

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
SCHEMBL29011247 0.98 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2ACHECUL4A
SCHEMBL29011253 0.95 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2ACHECUL4A
SCHEMBL29220077 0.89 ALDH1A1 (0.67) ALDH1A1ALDH3A1ALDH2ACHECUL4A
SCHEMBL28606638 0.85 CES1 (0.65) ALDH1A1ALDH3A1ALDH2ACHECUL4A
SCHEMBL11149802 0.84 PARK7 (0.62) ALDH1A1ALDH3A1ALDH2CES1BCHE
SCHEMBL29011259 0.84 ALDH3A1 (0.60) ALDH1A1ALDH3A1ALDH2CES1BCHE
SCHEMBL11147281 0.84 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL29011261 0.82 ALDH3A1 (0.59) ALDH1A1ALDH3A1ALDH2CES1BCHE
SCHEMBL21001752 0.81 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH2ACHECUL4A
SCHEMBL22667351 0.81 ALDH1A1 (0.58) ALDH1A1ALDH3A1ALDH2ACHECUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735585-A Novel substituted isatin-coumarin derivative and preparation method and application thereof 广东医科大学 2025-04-01 — — CN disclosed
CN-118108654-B Substituted isatin-ferulic acid ester derivative and preparation method and application thereof 广东医科大学 2025-03-07 — — CN disclosed
CN-116217547-B Substituted isatin-8-hydroxyquinoline derivative and preparation method and application thereof 广东医科大学 2024-10-22 — — CN disclosed
CN-118108654-A Substituted isatin-ferulic acid ester derivative and preparation method and application thereof 广东医科大学 2024-05-31 — — CN disclosed
CN-116217547-A Substituted isatin-8-hydroxyquinoline derivative and preparation method and application thereof 广东医科大学 2023-06-06 — — CN disclosed
US-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 — — US disclosed
EP-0010398-B1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-27 — — EP disclosed
EP-0010398-A1 Isatin derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 — — EP disclosed
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