SCHEMBL24915241

SCHEMBL24915241

NC(=O)CCCC(=O)[C@@H](N)Cc1nn[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
LTA4H P09960 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.35
CTH P32929 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
FFAR2 O15552 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL1891367 0.77 GRIA2 (0.50) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL1891365 0.77 GRIA2 (0.50) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL5591576 0.69
SCHEMBL24915510 0.68 ALOX15 (0.43) LTA4HGRIA1GRIA2GRIA3GRIA4
SCHEMBL24251553 0.65 NAALAD2 (0.60) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL31696740 0.65 NAALAD2 (0.60) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL5325386 0.64 PLA2G2C (0.57) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL6208476 0.62 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL5841196 0.62 EPHX2 (0.56) L3MBTL1ALDH1A1LMNAKDM6BKDM4A
SCHEMBL13780257 0.62 L3MBTL1 (0.62) L3MBTL1ALDH1A1LMNAKDM6BKDM4A

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
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed