SCHEMBL30838564

SCHEMBL30838564

CC(C(=O)NN)c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
POLB P06746 1/20 0.40
CTSD P07339 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
OGG1 O15527 1/20 0.36
LMNA P02545 2/20 0.35
FFAR2 O15552 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL21378747 0.78 CYP1A2 (0.55) P2RX7POLBCTSDALDH1A1HTT
SCHEMBL15745601 0.78 CYP1A2 (0.55) P2RX7POLBCTSDALDH1A1HTT
SCHEMBL21378793 0.78 CYP1A2 (0.55) P2RX7POLBCTSDALDH1A1HTT
SCHEMBL1483488 0.77 EPHX1 (0.37) P2RX7POLBALDH1A1HTTKDM4E
SCHEMBL23830227 0.75 P2RX7 (0.53) P2RX7POLBCTSDALDH1A1HTT
SCHEMBL8831554 0.74 PTGS2 (0.42) POLBALDH1A1KDM4EMAPK1LMNA
SCHEMBL30563829 0.73 ALDH1A1 (0.41) POLBALDH1A1HTTKDM4EMAPK1
Hydrochloric Acid SCHEMBL22775404 0.72 PTGS2 (0.41) POLBALDH1A1KDM4EMAPK1LMNA
SCHEMBL2827910 0.71 CYP3A4 (0.47) POLBCTSDALDH1A1HTTKDM4E
SCHEMBL4411652 0.71 MMP1 (0.43) ALDH1A1KDM4EFFAR2

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