SCHEMBL28623710

SCHEMBL28623710

C=C(C)CCc1ncc2[nH]cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLA1 P09884 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CDK2 P24941 3/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
MGMT P16455 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
PAK1 Q13153 1/20 0.35
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32

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
SCHEMBL21274620 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL11077322 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL27658630 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL28252480 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL7217914 0.77 NUDT1 (0.34) HPGDPOLBHTT
SCHEMBL27568676 0.76 POLA1 (0.56) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL28231112 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL27988612 0.75 POLA1 (0.46) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL5138814 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EPOLA1RXFP1CDK2
SCHEMBL10694875 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EPOLA1RXFP1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113940274-A Blueberry tissue culture seedling substrate and preparation method thereof 东北农业大学 2022-01-18 CN claimed
CN-113321561-A Pollution-free plant microbial agent based on green agriculture and preparation method thereof 黄玉超 2021-08-31 CN claimed
CN-113940274-A Blueberry tissue culture seedling substrate and preparation method thereof 东北农业大学 2022-01-18 CN disclosed
CN-113321561-A Pollution-free plant microbial agent based on green agriculture and preparation method thereof 黄玉超 2021-08-31 CN disclosed
CN-113321561-A Pollution-free plant microbial agent based on green agriculture and preparation method thereof 黄玉超 2021-08-31 CN disclosed