SCHEMBL29636346

SCHEMBL29636346

CC(C)C(=O)NCc1nccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.43
LMNA P02545 3/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 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
SCHEMBL14617245 1.00 PTGES (0.43) PTGESLMNAERCC1ERCC4ALDH1A1
SCHEMBL13201540 0.81 NPSR1 (0.42) LMNAALDH1A1HTTKMT2AL3MBTL1
SCHEMBL12436040 0.80 MAPKAPK2 (0.31)
SCHEMBL21256180 0.80 MAPKAPK2 (0.43) PTGESLMNAERCC1ERCC4ALDH1A1
SCHEMBL19652463 0.78 CYP1A2 (0.38) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL29561964 0.78 CYP1A2 (0.38) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL13218642 0.77 HPGD (0.33) LMNAALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL23042833 0.77 L3MBTL1 (0.33) LMNAALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL1128663 0.77 KMT2A (0.32) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12436062 0.77 PTGES (0.40) PTGESALDH1A1KDM4EL3MBTL1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994167-A Imidazo [1,5-a ] pyrazine antitumor compound and preparation method and application thereof 南京健康产业研究院 2024-11-22 CN disclosed
CN-114621233-A Substituted aromatic condensed ring derivative and its composition and use 深圳市塔吉瑞生物医药有限公司 2022-06-14 CN disclosed
CN-112552302-B Substituted aromatic fused ring derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-05-13 CN disclosed