SCHEMBL31300285

SCHEMBL31300285

NC(CCC[C@H](N)C(=O)O)C(=O)n1ncc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36

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
SCHEMBL31300267 0.90 NOS1 (0.43) DAGLANOS1KMT2APOLBTDP1
SCHEMBL31300269 0.88 TPH1 (0.37) DAGLANOS1KDM4EHPGDHSD17B10
SCHEMBL34467683 0.83 LTA4H (0.37) LTA4HKMONOS1SMN1; SMN2
SCHEMBL31300263 0.77 NOS1 (0.37) NOS1KDM4EHPGDRAB9AKMT2A
SCHEMBL31300258 0.77 FYN (0.39) NOS1KDM4EKMT2APOLBTDP1
SCHEMBL31300252 0.77 ARG1 (0.38) NOS1KMT2APOLBTDP1ARG1
SCHEMBL31300271 0.76 LTA4H (0.42) LTA4HKMODAGLAKMT2AGRIK1
SCHEMBL31300264 0.76 NOS1 (0.34) NOS1KDM4EKMT2APOLBTDP1
SCHEMBL34467664 0.74 NOS1 (0.41) DAGLANOS1KDM4ELMNAHPGD
SCHEMBL31300278 0.73 ARG1 (0.36) NOS1KMT2APOLBTDP1ARG1

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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