SCHEMBL25881998

SCHEMBL25881998

CC(N1CC2CN(C(=O)c3cccc(-c4cn5ccccc5n4)c3)CC2C1)n1ccccc1=N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 3/20 0.45
GFER P55789 2/20 0.45
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 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
SCHEMBL25310936 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25882701 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25310339 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25880948 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25311377 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19322175 0.74 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25878144 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25877650 0.73 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25311112 0.72 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL25878977 0.71 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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