SCHEMBL5963900

SCHEMBL5963900

NC(=O)NC1=CC(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PEPD P12955 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ SETD7 Q8WTS6 2/20 0.33
▸ GAA P10253 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL11231048 0.82 PEPD (0.31) ALDH1A1PEPDNPC1
SCHEMBL28033967 0.81 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16887859 0.80 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL11234960 0.79 PEPD (0.32) ALDH1A1PEPDNPC1
SCHEMBL10052277 0.78 MEN1 (0.34) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9134809 0.72 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16887861 0.72 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28647073 0.69 TDP1 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10796673 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL11412094 0.67 HSP90AA1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702647-A Polyacenoquinone polymer and preparation method thereof 青岛科技大学 2022-07-05 — — CN claimed
US-6998413-B1 Anticarcinogenica agents, antitumor agents; a new pyrrolo[1,2-a]benzimidazole derivatives from existing drug; cytotoxic; central nervous system, ovarian, and lung cancers; potentiation ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-02-14 — — US disclosed
WO-2000043005-A1 TREATMENT OF NEOPLASMS WITH THE YUJUNGAMYCINS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2000-07-27 — — WO disclosed
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