SCHEMBL24620293

SCHEMBL24620293

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NCC(F)F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
CYP2C19 P33261 1/20 0.68
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 5/20 0.66
LMNA P02545 3/20 0.66
ALDH1A1 P00352 3/20 0.54
GPR119 Q8TDV5 6/20 0.52
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
NAMPT P43490 1/20 0.50
TSHR P16473 1/20 0.50
ESRRB O95718 1/20 0.48
ESR1 P03372 1/20 0.48
ESRRA P11474 1/20 0.48
ESRRG P62508 1/20 0.48
GFER P55789 1/20 0.47
CTSS P25774 1/20 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
SCHEMBL24619971 0.86 KMT2A (0.68) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL20423694 0.84 KMT2A (0.68) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL29080216 0.84 KMT2A (0.59) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL12720262 0.83 KMT2A (0.64) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL18667883 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL26681993 0.82 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL2388387 0.81 MAPT (0.62) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL5573222 0.81 MAPT (0.76) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL29803251 0.81 MAPT (0.69) SMN1; SMN2KMT2AMEN1CYP2C19HTT
SCHEMBL28516401 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1CYP2C19HTT

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
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed