SCHEMBL22907313

SCHEMBL22907313

COc1ccc2c(c1)C(=O)C(=N)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.66
ACHE P22303 4/20 0.49
MIF P14174 3/20 0.48
CES2 O00748 2/20 0.48
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL25499549 0.82 METAP1 (0.70) METAP1ACHEMIFALDH1A1GAA
SCHEMBL1512575 0.82 METAP1 (0.70) METAP1ACHEMIFCES2ABCB1
SCHEMBL10267899 0.79 METAP1 (1.00) METAP1ACHEMIFCES2ABCB1
SCHEMBL10693161 0.78 METAP1 (0.64) METAP1ACHEMIFCES2ABCB1
SCHEMBL10623445 0.78 ALDH1A1 (0.64) METAP1ACHEALDH1A1GAAHPGD
SCHEMBL4895916 0.77 METAP1 (0.61) METAP1ACHEALDH1A1GAAHPGD
SCHEMBL27456260 0.77 METAP1 (0.62) METAP1ACHEALDH1A1GAAKDM4E
SCHEMBL23835146 0.76 METAP1 (0.73) METAP1ACHEMIFABCB1ALDH1A1
SCHEMBL30887372 0.76 METAP1 (0.73) METAP1ACHEMIFABCB1ALDH1A1
SCHEMBL4808970 0.76 MIF (0.61) METAP1ACHEMIFCES2ABCB1

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed