SCHEMBL29137878

SCHEMBL29137878

CCOC(C)COc1c(N)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10434089 0.89 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10434092 0.89 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10434090 0.89 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6649379 0.80 L3MBTL1 (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL3819929 0.80 LMNA (0.44)
SCHEMBL3819931 0.80 LMNA (0.44)
SCHEMBL10433859 0.78 LMNA (0.30)
SCHEMBL10433858 0.78 LMNA (0.30)
SCHEMBL8947859 0.73 PARP1 (0.35) KDM4EALDH1A1MAPT
SCHEMBL8979377 0.72 PTGS2 (0.36) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850297-A Synthetic method of sarin antibiotic drug intermediate 常州兰陵制药有限公司 2023-03-28 CN claimed
CN-115850297-A Synthetic method of sarin antibiotic drug intermediate 常州兰陵制药有限公司 2023-03-28 CN disclosed
CN-115850297-A Synthetic method of sarin antibiotic drug intermediate 常州兰陵制药有限公司 2023-03-28 CN disclosed