SCHEMBL29634310

SCHEMBL29634310

O=C(O)c1cccc2c1ncc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CDC25B P30305 2/20 0.50
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
HAVCR2 Q8TDQ0 1/20 0.45
WDR5 P61964 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GPR3 P46089 1/20 0.44
ALOX15 P16050 1/20 0.43
LDHA P00338 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
KDM4A O75164 1/20 0.42
RAB9A P51151 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42

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
SCHEMBL10464801 0.77 HAVCR2 (0.50) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL5358564 0.77 NR4A1 (0.53) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL27864133 0.76 CSNK2B (0.49) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL368304 0.76 PARP1 (0.51) NR4A1NR4A2NR4A3ALDH1A1CDC25B
Naphthoic Acid SCHEMBL8715113 0.75 NR4A1 (0.95) NR4A1NR4A2NR4A3ALDH1A1CDC25B
Naphthoic Acid SCHEMBL10652355 0.75 NR4A1 (0.95) NR4A1NR4A2NR4A3ALDH1A1CDC25B
Naphthoic Acid SCHEMBL28491085 0.75 NR4A1 (0.95) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL19748987 0.75 KDM4E (0.60) ALDH1A1LMNAPARP1KDM4EGPR3
SCHEMBL436444 0.74 KDM4E (0.42) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL1896615 0.74 KDM4E (0.51) ALDH1A1LMNAALOX12KDM4EGPR3

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-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed