SCHEMBL31300264

SCHEMBL31300264

Cc1ccc(-c2cnn(C(=O)C(N)CCC[C@H](N)C(=O)O)n2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KAT8 Q9H7Z6 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ RECQL P46063 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
SCHEMBL34467661 0.84 HPGD (0.35) NOS1KDM4EALDH1A1ADORA2AADORA1
SCHEMBL31300263 0.81 NOS1 (0.37) NOS1KDM4EALDH1A1ADORA2AADORA1
SCHEMBL31300267 0.80 NOS1 (0.43) NOS1POLBKMT2AMAPTTDP1
SCHEMBL31300252 0.76 ARG1 (0.38) NOS1ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL31300285 0.76 LTA4H (0.40) NOS1KDM4EPOLBKMT2ATDP1
SCHEMBL31300269 0.76 TPH1 (0.37) NOS1KDM4EALDH1A1POLBKMT2A
SCHEMBL31300258 0.74 FYN (0.39) NOS1KDM4EALDH1A1POLBKMT2A
SCHEMBL31300278 0.72 ARG1 (0.36) NOS1GRIA1GRIA2GRIA3GRIA4
SCHEMBL34467677 0.66 L3MBTL1 (0.37) NOS1KDM4EALDH1A1ADORA2AADORA1
SCHEMBL34467664 0.65 NOS1 (0.41) NOS1KDM4EALDH1A1POLBKMT2A

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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