SCHEMBL27854841

SCHEMBL27854841

[c]1ccc2c(c1)-c1cccnc1C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDC25B P30305 1/20 0.33
PTPRC P08575 1/20 0.30

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
SCHEMBL30011414 0.77 METAP2 (0.46) METAP2PTPRC
SCHEMBL27174135 0.77 METAP2 (0.46) METAP2PTPRC
SCHEMBL51294 0.77 METAP2 (0.46) METAP2PTPRC
SCHEMBL29360004 0.77 METAP2 (0.46) METAP2PTPRC
SCHEMBL585349 0.74 TDP1 (0.42) METAP2MEN1THRBBLMKMT2A
SCHEMBL68422 0.74 MAOA (0.33)
SCHEMBL24206 0.74 MAOA (0.46) METAP2MEN1KMT2A
SCHEMBL9272539 0.71 SIGMAR1 (0.39) METAP2MEN1THRBBLMKMT2A
SCHEMBL13959698 0.70 ALDH1A1 (0.50) METAP2MEN1THRBBLMKMT2A
SCHEMBL17032342 0.69 ALDH1A1 (0.43) BLM

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-102459280-A Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication UNIV LEUVEN KATH 2012-05-16 CN disclosed