SCHEMBL25879368

SCHEMBL25879368

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.62
SIRT1 Q96EB6 1/20 0.57
STK33 Q9BYT3 1/20 0.50
AURKA O14965 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK2 P24941 2/20 0.49
AURKB Q96GD4 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
XBP1 P17861 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL30471353 1.00 LANCL2 (0.62) LANCL2SIRT1STK33AURKACDK1
SCHEMBL17705597 0.90 LANCL2 (0.62) LANCL2MEN1KMT2AMAPTKDM4E
SCHEMBL25878657 0.87 LANCL2 (0.49) LANCL2SIRT1STK33AURKACDK1
SCHEMBL18426899 0.84 LANCL2 (0.62) LANCL2MEN1KMT2AMAPTNPSR1
SCHEMBL29466292 0.83 LANCL2 (0.71) LANCL2MEN1KMT2ANPSR1KDM4E
SCHEMBL8213569 0.82 LANCL2 (0.59) LANCL2MEN1KMT2AMAPTNPSR1
SCHEMBL17700974 0.82 LANCL2 (0.69) LANCL2KMT2ANPSR1KDM4ENPC1
SCHEMBL29466277 0.82 LANCL2 (0.69) LANCL2KMT2ANPSR1KDM4ENPC1
SCHEMBL29484573 0.81 LANCL2 (0.67) LANCL2AURKACDK1CCNB1CDK2
SCHEMBL25876068 0.81 LANCL2 (0.67) LANCL2AURKACDK1CCNB1CDK2

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