SCHEMBL29250802

SCHEMBL29250802

O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HBB P68871 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4A O75164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47

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
SCHEMBL31122814 0.86 ADORA3 (0.46) RECQLALDH1A1TSHRHPGDKDM4E
SCHEMBL31122797 0.86 ADORA3 (0.46) RECQLALDH1A1TSHRHPGDKDM4E
SCHEMBL30861161 0.84 NPBWR1 (0.49) ALDH1A1TSHRHPGDKDM4ELMNA
SCHEMBL30861166 0.83 PKM (0.56) ALDH1A1TSHRHPGDKDM4ELMNA
SCHEMBL31122801 0.83 HTR1A (0.52) RECQLALDH1A1TSHRHPGDKDM4E
SCHEMBL24780757 0.82 NPBWR1 (0.48) ALDH1A1TSHRHPGDKDM4EHTT
SCHEMBL11853019 0.81 TP53 (0.52) ALDH1A1TSHRHPGDKDM4ELMNA
SCHEMBL29965354 0.80 NPBWR1 (0.59) ALDH1A1KDM4EMEN1KMT2AGSK3A
SCHEMBL31122804 0.79 NPBWR1 (0.52) ALDH1A1KDM4EMEN1KMT2ANPBWR1
SCHEMBL30861151 0.79 CYP19A1 (0.53) ALDH1A1TSHRHPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638144-A Synthesis method of heteroaryl silane 南阳师范学院 2024-09-13 CN claimed
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN claimed
CN-118638144-A Synthesis method of heteroaryl silane 南阳师范学院 2024-09-13 CN disclosed
CN-118184594-A Preparation method of aza-uracil compound, and compound prepared by same and application of aza-uracil compound 杭州医学院 2024-06-14 CN disclosed
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN disclosed
CN-117143038-A Alkylation reaction of visible light catalytic aza uracil 郑州大学 2023-12-01 CN disclosed