SCHEMBL25898804

SCHEMBL25898804

COC(=O)C1C(=O)Nc2ccc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SSTR4 P31391 1/20 0.32
HTT P42858 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
SCHEMBL8657361 0.76 HTT (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9833467 0.72 CDYL2 (0.48) MEN1KMT2A
SCHEMBL8655558 0.72 DAO (0.36)
SCHEMBL8653972 0.72 CHRNB2 (0.36) KMT2ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL8657477 0.72 TDP1 (0.37) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8653998 0.72 CHRNB2 (0.36) MAPK1
Ammonia Solution, Strong SCHEMBL27320686 0.71 TDP1 (0.36) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL27363938 0.71 GAA (0.36) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL15075740 0.70 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL27318754 0.68 CCKBR (0.32)

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed