SCHEMBL28294093

SCHEMBL28294093

[CH2]c1ccc2c(c1)NC(=O)C2(C)C#N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.34
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 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
SCHEMBL19693406 0.74 LMNA (0.49) PDK2ALDH1A1MAPT
SCHEMBL9832263 0.73 PGR (0.33) PGRPDK2PDK4ALDH1A1MAPT
SCHEMBL28294129 0.72 MAOB (0.34)
SCHEMBL9833677 0.70 PGR (0.32) PGRALDH1A1MAPT
SCHEMBL10151655 0.69 AKR1B1 (0.42) PDK2PDK4ALDH1A1MAPT
SCHEMBL5536803 0.67 PDK2 (0.55) PGRPDK2PDK4
SCHEMBL9833671 0.65 AURKA (0.40) ALDH1A1MAPT
SCHEMBL6072306 0.63 PGR (0.58) PGRPDK2PDK4
SCHEMBL9376592 0.60 PGR (0.51) PGRALDH1A1MAPT
SCHEMBL14188959 0.59 MMP2 (0.38) PDK2PDK4ALDH1A1MAPT

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-110325533-A INHIBITORS OF THE MENIN-MLL INTERACTION 生命医药有限责任公司 2019-10-11 CN disclosed
CN-109743875-A The inhibitor of MENIN-MLL interaction 生命医药公司 2019-05-10 CN disclosed