SCHEMBL10363554

SCHEMBL10363554

Cc1ccc(C)c(N(C(N)=O)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL4013274 0.85 CASP1 (0.40) ALOX5ALDH1A1POLBTDP1L3MBTL1
SCHEMBL4209917 0.82 GRM1 (0.46) POLBTDP1L3MBTL1GAA
SCHEMBL6037567 0.72 KDR (0.42) ALOX5PARP1ALDH1A1HPGDPOLB
SCHEMBL22336310 0.71 ALDH1A1 (0.44) ALOX5ALDH1A1HPGDTDP1GAA
SCHEMBL29940563 0.70 POLB (0.45) POLBGAAHTT
SCHEMBL20264395 0.70 POLB (0.45) POLBGAAHTT
SCHEMBL30545003 0.68 POLB (0.35) ALDH1A1HPGDPOLBTDP1L3MBTL1
SCHEMBL26032149 0.67 POLB (0.48) ALDH1A1POLBTDP1GAAHTT
SCHEMBL11184627 0.67 POLB (0.48) ALDH1A1HPGDPOLBGAA
SCHEMBL19527666 0.67 POLB (0.39) ALDH1A1HPGDPOLBTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 — — EP disclosed
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