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Sugi Predict / Compounds / Isaindigotone

Isaindigotone

Isaindigotone

SCHEMBL29519815

COc1cc(/C=C2\CCn3c2nc2ccccc2c3=O)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 1.00
▸ RAB9A P51151 2/20 0.79
▸ NPC1 O15118 1/20 0.79
▸ TUBB4A P04350 6/20 0.69
▸ TUBB P07437 6/20 0.69
▸ TUBA3C P0DPH7 6/20 0.69
▸ TUBA1B P68363 6/20 0.69
▸ TUBA4A P68366 6/20 0.69
▸ TUBB4B P68371 6/20 0.69
▸ TUBB3 Q13509 6/20 0.69
▸ TUBB2A Q13885 6/20 0.69
▸ TUBB8 Q3ZCM7 6/20 0.69
▸ TUBA3E Q6PEY2 6/20 0.69
▸ TUBA1A Q71U36 6/20 0.69
▸ TUBA1C Q9BQE3 6/20 0.69
▸ TUBB6 Q9BUF5 6/20 0.69
▸ TUBB2B Q9BVA1 6/20 0.69
▸ TUBB1 Q9H4B7 6/20 0.69
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64

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
SCHEMBL29519684 0.94 ALOX5 (0.88) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL14882372 0.88 RAB9A (1.00) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL21992755 0.88 RAB9A (1.00) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL29519682 0.88 ALOX5 (0.78) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL29520035 0.78 ALOX5 (0.65) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL11082600 0.78 ALOX5 (0.65) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL11082606 0.78 ALOX5 (0.65) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL11112931 0.78 ALOX5 (0.65) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL11112929 0.78 ALOX5 (0.65) ALOX5RAB9ANPC1TUBB4ATUBB
SCHEMBL21993761 0.78 MEN1 (0.82) ALOX5RAB9ANPC1MEN1KMT2A

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-114249733-B Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2023-05-12 — — CN claimed
CN-114249733-A Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2022-03-29 — — CN claimed
CN-118772160-A Trifluoromethyl group is a dihydropyrrolo of (2) quinazolinone compound and synthesis method thereof 西北师范大学 2024-10-15 — — CN disclosed
CN-114249733-B Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2023-05-12 — — CN disclosed
CN-114249733-B Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2023-05-12 — — CN disclosed
CN-114249733-B Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2023-05-12 — — CN disclosed
CN-113121599-B Fluorescent probe for targeting mitochondrial G-quadruplex DNA and preparation method and application thereof 中山大学 2022-08-12 — — CN disclosed
CN-110041283-B Sulfur-containing compound with anti-multiple virus activity in isatis root and application thereof 中国医学科学院药物研究所 2022-05-17 — — CN disclosed
CN-114249733-A Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2022-03-29 — — CN disclosed
CN-114249733-A Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2022-03-29 — — CN disclosed
CN-114249733-A Isaindigotone derivative and application thereof in preparation of antitumor drugs 兰州大学 2022-03-29 — — CN disclosed
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