SCHEMBL25878657

SCHEMBL25878657

CC(O)(Nc1ccccc1NC(=O)c1cccc(-c2nc3ccccc3[nH]2)n1)c1cccc(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.49
SIRT1 Q96EB6 1/20 0.46
KDM4E B2RXH2 4/20 0.42
STK33 Q9BYT3 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AURKA O14965 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK2 P24941 2/20 0.40
AURKB Q96GD4 2/20 0.40
XBP1 P17861 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL25879368 0.87 LANCL2 (0.62) LANCL2SIRT1KDM4ESTK33MEN1
SCHEMBL30471353 0.87 LANCL2 (0.62) LANCL2SIRT1KDM4ESTK33MEN1
SCHEMBL17705597 0.78 LANCL2 (0.62) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL8213569 0.74 LANCL2 (0.59) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL18426899 0.73 LANCL2 (0.62) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL29484573 0.73 LANCL2 (0.67) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL25876068 0.73 LANCL2 (0.67) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL29466292 0.72 LANCL2 (0.71) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL3121939 0.72 LANCL2 (0.63) LANCL2KDM4EMEN1KMT2ANPC1
SCHEMBL18426847 0.72 HPSE (0.48) LANCL2SIRT1KDM4EMEN1KMT2A

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
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed