SCHEMBL30838562

SCHEMBL30838562

CC(C(=O)NN)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ BRD4 O60885 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ DDO Q99489 1/20 0.46
▸ TSHR P16473 4/20 0.45
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL8647980 0.82 DAO (0.51) KDM4EALDH1A1GAAMAPK1BRD4
SCHEMBL828487 0.77 BRD4 (0.59) KDM4EALDH1A1BRD4DAODDO
Hydrochloric Acid SCHEMBL22159198 0.76 BRD4 (0.54) KDM4EALDH1A1BRD4DAODDO
SCHEMBL5475936 0.75 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1BRD4
SCHEMBL5476505 0.72 KDM4E (0.45) KDM4EALDH1A1GAAMAPK1BRD4
SCHEMBL20621731 0.72 BRD4 (0.53) KDM4EALDH1A1GAABRD4DAO
SCHEMBL22035463 0.71 BRD4 (0.51) KDM4EALDH1A1BRD4DAODDO
SCHEMBL27968059 0.70 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1BRD4
SCHEMBL2432421 0.70 KDM4E (0.43) KDM4EALDH1A1BRD4DAODDO
SCHEMBL30838561 0.70 PTGER4 (0.51) ALDH1A1GAAALOX5LMNA

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-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 — — WO disclosed
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