SCHEMBL7050442

SCHEMBL7050442

CC1=C(N)C(=O)C=CC1=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11685820 0.79
SCHEMBL3620608 0.77 MAOA (0.37)
SCHEMBL49743 0.77 MAOA (0.37)
Bromide SCHEMBL11508916 0.74 CDC25B (0.35)
Bromide SCHEMBL11510069 0.74 CDC25B (0.35)
SCHEMBL17581080 0.70
SCHEMBL5796940 0.69
SCHEMBL10798918 0.69
SCHEMBL13076517 0.67 IDO1 (0.30)
SCHEMBL11658103 0.65 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104782835-B Compound health care medicinal tea suitable for sub-health population 魏冰星 2017-11-17 CN disclosed
CN-104782835-A Compound health keeping medicinal tea applicable to sub-healthy groups WEI BINGXING 2015-07-22 CN disclosed
US-20030134398-A1 Mitomycin biosynthetic gene cluster REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-07-17 US disclosed
US-20030124689-A1 Mitomycin biosynthetic gene cluster REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-07-03 US disclosed
US-6495348-B1 FROM STREPTOMYCES; USING CLUSTER GENES TO ALTER ANTIBIOTIC BIOSYNTHESIS AND TO PREPARE A POLYKETIDE SYNTHASE; FRAGMENT OF NUCLEIC ACID SEQUENCE WHICH ENCODES A METHYLTRANSFERASE OR A CARBAMOYLTRANSFERASE THAT CATALYZES MITOMYCIN BIOSYNTHESIS REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-12-17 US disclosed
EP-1165800-A2 MITOMYCIN BIOSYNTHETIC GENE CLUSTER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-01-02 EP disclosed
WO-2000053737-A2 MITOMYCIN BIOSYNTHETIC GENE CLUSTER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-09-14 WO disclosed