SCHEMBL28647447

SCHEMBL28647447

CNC(=O)c1ccccc1NCc1cc(C)cc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ KIT P10721 2/20 0.42
▸ BRAF P15056 1/20 0.42
▸ SCD O00767 2/20 0.42
▸ PLK1 P53350 2/20 0.42

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
SCHEMBL28639591 0.87 ALDH1A1 (0.59) ADRA1DADRA1AADRA1BHSD17B10ALDH1A1
SCHEMBL28653047 0.85 RPS6KB1 (0.56) HSD17B10ALDH1A1HPGDPOLBCTDSP1
SCHEMBL28644608 0.84 ADRA1D (0.58) ADRA1DADRA1AADRA1BHSD17B10ALDH1A1
SCHEMBL5140586 0.76 RXFP1 (0.74) ALDH1A1HPGDRPS6KB1KDM4EMEN1
SCHEMBL6607848 0.76 ADRA1D (0.55) ADRA1DADRA1AADRA1BHSD17B10ALDH1A1
SCHEMBL9987805 0.73 RAPGEF4 (0.50) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL2061071 0.71 POLB (0.62) ADRA1DADRA1AADRA1BALDH1A1POLB
SCHEMBL5544031 0.71 ADRA2C (0.41) HSD17B10ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL28658005 0.71 RAB9A (0.59) HSD17B10ALDH1A1HPGDPOLBCTDSP1
SCHEMBL19552555 0.70 GAA (0.57) ADRA1DADRA1AADRA1BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563272-B Preparation method of 2-phenylquinazolinone compound 三峡大学 2023-03-10 — — CN disclosed
CN-113563272-A Preparation method of 2-phenylquinazolinone compound 三峡大学 2021-10-29 — — CN disclosed
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