SCHEMBL30043910

SCHEMBL30043910

N#CN1CCc2ncccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
USP7 Q93009 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
ACVR1 Q04771 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
USP30 Q70CQ3 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
OTUD7B Q6GQQ9 6/20 0.34
NAMPT P43490 2/20 0.33

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
SCHEMBL28619587 1.00 CTSL (0.39) CTSLCTSBCTSKUSP7HDAC6
SCHEMBL23742522 0.75 LMNA (0.40) PIK3CAMTOR
SCHEMBL2327219 0.74 MAOA (0.52) CTSLCTSBCTSKUSP7USP30
SCHEMBL30043742 0.74 MAOA (0.52) CTSLCTSBCTSKUSP7USP30
SCHEMBL13650388 0.74 HDAC6 (0.40) HDAC6FGFR1FGFR2ACVR1PIK3CA
SCHEMBL13068269 0.74 GRIN2D (0.41) HDAC6FGFR1FGFR2ACVR1PIK3CA
SCHEMBL6127935 0.74 MAOA (0.57) HDAC6FGFR1FGFR2ACVR1GRIN2D
SCHEMBL29391680 0.74 MAOA (0.57) HDAC6FGFR1FGFR2ACVR1GRIN2D
SCHEMBL30792019 0.72 NAMPT (0.36) HDAC6FGFR1FGFR2ACVR1PIK3CA
SCHEMBL3128406 0.71 HDAC6 (0.41) HDAC6FGFR1FGFR2ACVR1PIK3CA

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-113200912-B Method for synthesizing cyanamide 南昌大学 2022-12-06 CN disclosed