SCHEMBL28840643

SCHEMBL28840643

COC(=O)C1CCN(c2cc(CO)c(Br)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
NEK2 P51955 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 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
SCHEMBL28840081 0.82 KDM4E (0.46) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL24837942 0.77 KDM4E (0.65) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL28601851 0.76 KDM4E (0.48) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL22680304 0.76 KDM4E (0.48) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL29429480 0.76 KDM4E (0.48) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL24312784 0.76 KDM4E (0.60) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL25245322 0.76 KDM4E (0.64) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL29592865 0.76 KDM4E (0.60) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9013582 0.72 PIK3CA (0.43) KDM4ELMNAKMT2ASMN1; SMN2MEN1
SCHEMBL10174357 0.72 KDM4E (0.61) KDM4ELMNAKMT2ASMN1; SMN2MEN1

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
CN-114907338-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-08-16 CN disclosed