SCHEMBL31300267

SCHEMBL31300267

NC(CCC[C@H](N)C(=O)O)C(=O)n1ncc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KIF11 P52732 6/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ GRM3 Q14832 1/20 0.38
▸ TPH1 P17752 1/20 0.37

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
SCHEMBL31300269 0.90 TPH1 (0.37) NOS1POLBKMT2ATDP1DAGLA
SCHEMBL31300285 0.90 LTA4H (0.40) NOS1POLBKMT2ATDP1DAGLA
SCHEMBL31300252 0.83 ARG1 (0.38) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300258 0.83 FYN (0.39) NOS1POLBKMT2ATDP1KIF11
SCHEMBL34467664 0.83 NOS1 (0.41) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300263 0.83 NOS1 (0.37) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300264 0.80 NOS1 (0.34) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300278 0.76 ARG1 (0.36) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300250 0.75 KMT2A (0.45) NOS1POLBKMT2ATDP1DAGLA
SCHEMBL31300260 0.75 NOS1 (0.43) NOS1POLBKMT2ATDP1KIF11

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-119213061-A Cross-linked protein, method for producing the same and use thereof 纽约州立大学研究基金会 2024-12-27 — — CN disclosed
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