SCHEMBL31300252

SCHEMBL31300252

Cn1cccc1-c1cnn(C(=O)C(N)CCC[C@H](N)C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NOS1 P29475 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KIF11 P52732 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2A13 Q16696 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRM3 Q14832 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32

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
SCHEMBL34467688 0.84 NOS1 (0.35) ARG1ALOX15NOS1POLBKMT2A
SCHEMBL31300267 0.83 NOS1 (0.43) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300263 0.77 NOS1 (0.37) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300258 0.77 FYN (0.39) NOS1POLBKMT2ATDP1KIF11
SCHEMBL31300285 0.77 LTA4H (0.40) ARG1NOS1POLBKMT2ATDP1
SCHEMBL31300269 0.77 TPH1 (0.37) ARG1NOS1POLBKMT2ATDP1
SCHEMBL31300264 0.76 NOS1 (0.34) ARG1NOS1POLBKMT2ATDP1
SCHEMBL30544866 0.75 FOLH1 (0.37) ALOX15
SCHEMBL31300278 0.73 ARG1 (0.36) ARG1NOS1POLBKMT2ATDP1
SCHEMBL34467664 0.68 NOS1 (0.41) 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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