SCHEMBL28601758

SCHEMBL28601758

COC(=O)[C@H]1CCN(c2cc(F)c(C(=O)CBr)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TMPRSS15 P98073 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL29993409 1.00 KDM4E (0.44) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL29429480 0.83 KDM4E (0.48) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL22680304 0.83 KDM4E (0.48) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL28601851 0.83 KDM4E (0.48) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL24238766 0.82 KDM4E (0.42) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL29993116 0.80 SMN1; SMN2 (0.44) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL24238678 0.80 SMN1; SMN2 (0.44) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL22045138 0.76 KCNQ3 (0.41) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL22679867 0.74 KDM4E (0.53) KDM4EJAK2JAK3LMNAMEN1
SCHEMBL28919382 0.74 KDM4E (0.53) KDM4EJAK2JAK3LMNAMEN1

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-113166146-A Other heteroaromatic compounds with anti-RSV activity 爱尔兰詹森科学公司 2021-07-23 — — CN disclosed
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