SCHEMBL30938206

SCHEMBL30938206

COc1ccc(NCc2nnc3n2CCCCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ LMNA P02545 7/20 0.71
▸ GAA P10253 2/20 0.71
▸ TSHR P16473 1/20 0.71
▸ POLB P06746 2/20 0.70
▸ TP53 P04637 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ SHMT2 P34897 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ GFER P55789 1/20 0.56
▸ THRB P10828 1/20 0.53

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
SCHEMBL30938208 0.99 KDM4E (0.73) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366766 0.88 L3MBTL1 (0.72) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30938205 0.83 LMNA (0.65) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366910 0.83 RAB9A (0.53) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366790 0.80 LMNA (0.75) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366525 0.80 LMNA (0.71) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366789 0.78 LMNA (0.80) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366529 0.75 THRB (0.53) KDM4EL3MBTL1LMNATSHRPOLB
SCHEMBL30938207 0.75 LMNA (0.64) KDM4EL3MBTL1LMNAGAATSHR
SCHEMBL30366880 0.75 LMNA (0.64) KDM4EL3MBTL1LMNAGAATSHR

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-118159540-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-06-07 — — CN disclosed
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