SCHEMBL25376436

SCHEMBL25376436

CCCC[C@](C)(CNC(=O)c1cnn(C)c1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ DHX9 Q08211 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL25376440 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL25374519 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL25374512 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL25376743 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL25376747 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHPGDGRNSORT1
Hydrochloric Acid SCHEMBL29099902 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHPGDGRNSORT1
Hydrochloric Acid SCHEMBL29099900 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL29093582 0.72 TLR8 (0.61) LMNAHPGD
SCHEMBL3318854 0.72 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL19918748 0.72 L3MBTL1 (0.40) SMN1; SMN2LMNAHPGDGRNSORT1

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
WO-2023160527-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2023-08-31 — — WO disclosed
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