SCHEMBL25877650

SCHEMBL25877650

O=C(c1cccc(-c2cn3ccccc3n2)c1)N1CC2CN(C(=O)c3cccc(Nc4ccccc4)n3)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
LMNA P02545 5/20 0.55
RAB9A P51151 5/20 0.55
POLB P06746 4/20 0.55
GFER P55789 2/20 0.55
ALDH1A1 P00352 10/20 0.51
HPGD P15428 6/20 0.51
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.45
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SYK P43405 1/20 0.42
PTK2B Q14289 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL25311688 0.88 KDM4E (0.54) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25878145 0.88 KDM4E (0.54) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL29484618 0.88 KDM4E (0.53) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25312448 0.88 KDM4E (0.53) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25877628 0.87 KDM4E (0.52) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25310936 0.86 KDM4E (0.58) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25882710 0.85 KDM4E (0.51) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25878981 0.85 KDM4E (0.54) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL25882701 0.82 KDM4E (0.56) KDM4ESMN1; SMN2LMNARAB9APOLB
SCHEMBL29466326 0.80 MEN1 (0.49) KDM4ESMN1; SMN2LMNARAB9APOLB

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