SCHEMBL30597935

SCHEMBL30597935

CN=C(N(C)C)n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 10/20 0.47
▸ MGAM O43451 9/20 0.47
▸ AMY1A P0DUB6 9/20 0.47
▸ SI P14410 9/20 0.47
▸ MGAM2 Q2M2H8 9/20 0.47
▸ F2 P00734 2/20 0.47
▸ SLC9A1 P19634 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.44

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
SCHEMBL30374337 0.77 TUBB4A (0.44) KMT2AMAPTKDM4EALDH1A1HTT
SCHEMBL10162226 0.77 TUBB4A (0.44) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12282952 0.77 DGAT1 (0.66) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425007 0.77 KMT2A (0.61) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3893181 0.74 DGAT1 (0.57) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4250719 0.73 GAA (0.68) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2970279 0.73 DGAT1 (0.66) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21073734 0.73 DGAT1 (0.51) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27973795 0.73 DGAT1 (0.70) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16473848 0.71 HDAC3 (0.50) DGAT1KMT2AMAPTKDM4EALDH1A1

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-109641863-B Intermediate for synthesizing carfilzomib and synthesis of pharmaceutically acceptable salt thereof 美国安进公司 2023-10-20 — — CN disclosed
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