SCHEMBL28958998

SCHEMBL28958998

CCOC(=O)CCC(=NO)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NHERF1 O14745 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL28958971 0.88 NLRP3 (0.46) KMT2AMAPTALDH1A1LMNACYP1A2
SCHEMBL6158815 0.85 MAPT (0.44) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL6158810 0.85 MAPT (0.44) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL6157301 0.85 MAPT (0.44) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL28959008 0.85 SMN1; SMN2 (0.47) KMT2AMAPTALDH1A1HPGDHTT
SCHEMBL28959007 0.84 SMN1; SMN2 (0.51) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL12170406 0.84 KMT2A (0.57) KMT2AMAPTALDH1A1HPGDHTT
SCHEMBL2034487 0.84 KMT2A (0.57) KMT2AMAPTALDH1A1HPGDHTT
SCHEMBL2034488 0.84 KMT2A (0.57) KMT2AMAPTALDH1A1HPGDHTT
SCHEMBL8541001 0.84 SMN1; SMN2 (0.53) KMT2AMAPTALDH1A1HPGDLMNA

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-114621115-B Method for synthesizing oxime compounds under photocatalysis condition 河南大学 2023-05-23 CN disclosed
CN-114621115-A Method for synthesizing oxime compound under photocatalysis condition 河南大学 2022-06-14 CN disclosed