SCHEMBL2653334

SCHEMBL2653334

NC(=O)c1ccccc1-c1nn[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
IDO1 P14902 1/20 0.57
GAA P10253 1/20 0.57
PBRM1 Q86U86 1/20 0.53
LDHA P00338 1/20 0.53
PARP1 P09874 3/20 0.50
PARP2 Q9UGN5 1/20 0.49
BCAT2 O15382 1/20 0.49
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30675982 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL30786303 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL7019052 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL28930119 0.81 BCAT2 (0.51) PARP1PARP2BCAT2
SCHEMBL11817017 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL19283593 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1IDO1
SCHEMBL7023563 0.76 AGTR1 (0.59) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL4772912 0.73 CSNK1A1 (0.50) ALDH1A1PARP1BCAT2CSNK1A1TYRO3
SCHEMBL210767 0.73 BCAT2 (0.74) ALDH1A1L3MBTL1GAAPARP1BCAT2
SCHEMBL30514077 0.73 BCAT2 (0.74) ALDH1A1L3MBTL1GAAPARP1BCAT2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 CN disclosed
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed