SCHEMBL28291334

SCHEMBL28291334

CC(C)(C)OC(=O)NCC(=O)NC1CCNCC1.O=COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SYK P43405 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
MEN1 O00255 1/20 0.40
KCNA3 P22001 1/20 0.40
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 3/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL27797344 0.86 KMT2A (0.43) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL4727534 0.82 EPHX1 (0.49) ALDH1A1KMT2AMEN1KCNA3GAA
SCHEMBL27967317 0.79 KMT2A (0.50) ALDH1A1SYKKMT2AL3MBTL1KCNA3
SCHEMBL27820569 0.77 KMT2A (0.41) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL27839967 0.77 KMT2A (0.44) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL28055549 0.77 KMT2A (0.41) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL28055663 0.77 KMT2A (0.41) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL27893654 0.77 KMT2A (0.44) SYKKMT2AL3MBTL1KCNA3SSTR1
SCHEMBL28793024 0.77 KMT2A (0.47) ALDH1A1SYKKMT2AL3MBTL1KCNA3
SCHEMBL27910784 0.77 SSTR4 (0.41) SYKKMT2AL3MBTL1KCNA3SSTR1

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
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed