SCHEMBL29130409

SCHEMBL29130409

CN(C)C(=O)C(C#N)=Cc1cccc(CCCC(=O)C(Cc2ccccc2)B(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPK1 P28482 5/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
ALOX15 P16050 3/20 0.38
ALOX12 P18054 3/20 0.38
RECQL P46063 3/20 0.38
BLM P54132 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 3/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL30688440 1.00 EGFR (0.38) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL29130407 1.00 EGFR (0.38) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL22436438 0.85 PSMB5 (0.43) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL26096253 0.85 PSMB5 (0.43) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL22436411 0.83 KDM4E (0.43) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL30688482 0.83 KDM4E (0.43) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL22436397 0.82 EGFR (0.44) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL28433225 0.81 JAK3 (0.41) EGFRKDM4EMAPK1MAPTALDH1A1
SCHEMBL29130359 0.81 PSMB5 (0.44) EGFRJAK3
SCHEMBL29130362 0.81 PSMB5 (0.44) EGFRJAK3

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-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed