SCHEMBL31300263

SCHEMBL31300263

NC(CCC[C@H](N)C(=O)O)C(=O)n1ncc(-c2ccco2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KIF11 P52732 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ RECQL P46063 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 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
SCHEMBL34467677 0.84 L3MBTL1 (0.37) NOS1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL31300267 0.83 NOS1 (0.43) NOS1TDP1KMT2APOLBKIF11
SCHEMBL31300264 0.81 NOS1 (0.34) NOS1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL31300282 0.77 KMT2A (0.38) NOS1PTGS1KDM4ETDP1ALDH1A1
SCHEMBL31300252 0.77 ARG1 (0.38) NOS1TDP1ALDH1A1KMT2APOLB
SCHEMBL31300258 0.77 FYN (0.39) NOS1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL31300269 0.77 TPH1 (0.37) NOS1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL31300285 0.77 LTA4H (0.40) NOS1KDM4ETDP1KMT2APOLB
SCHEMBL31300278 0.71 ARG1 (0.36) NOS1TDP1KMT2APOLBKIF11
SCHEMBL34467664 0.68 NOS1 (0.41) NOS1KDM4ETDP1ALDH1A1KMT2A

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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