SCHEMBL31300258

SCHEMBL31300258

NC(CCC[C@H](N)C(=O)O)C(=O)n1ncc(-c2cccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ HPGDS O60760 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KIF11 P52732 3/20 0.34

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
SCHEMBL34467678 0.84 CAMK2D (0.37) KMT2ATDP1L3MBTL1NOS1HPGDS
SCHEMBL31300267 0.83 NOS1 (0.43) KMT2ATDP1NOS1MAPTPOLB
SCHEMBL31300252 0.77 ARG1 (0.38) KMT2ATDP1NOS1ALDH1A1POLB
SCHEMBL31300263 0.77 NOS1 (0.37) KMT2ATDP1L3MBTL1NOS1ALDH1A1
SCHEMBL31300257 0.77 HDAC3 (0.43) KMT2ATDP1L3MBTL1NOS1ALDH1A1
SCHEMBL31300269 0.77 TPH1 (0.37) KMT2ATDP1L3MBTL1NOS1ALDH1A1
SCHEMBL31300285 0.77 LTA4H (0.40) KMT2ATDP1NOS1KDM4EPOLB
SCHEMBL31300264 0.74 NOS1 (0.34) KMT2ATDP1L3MBTL1NOS1ALDH1A1
SCHEMBL31300278 0.71 ARG1 (0.36) KMT2ATDP1NOS1POLBMEN1
SCHEMBL34467664 0.68 NOS1 (0.41) KMT2ATDP1NOS1ALDH1A1KDM4E

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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