SCHEMBL25878317

SCHEMBL25878317

O=C(NC1C2CN(C(=O)c3sccc3-n3cccc3)C[C@@H]21)c1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
POLB P06746 4/20 0.47
LMNA P02545 3/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 11/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 1/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27180290 1.00 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25315909 1.00 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25878144 0.86 KDM4E (0.57) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25883229 0.80 KDM4E (0.58) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25883305 0.77 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25878406 0.77 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25311688 0.77 KDM4E (0.54) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25311896 0.77 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29484599 0.77 KDM4E (0.47) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25878145 0.77 KDM4E (0.54) KDM4ESMN1; SMN2RAB9APOLBLMNA

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