SCHEMBL30838566

SCHEMBL30838566

CC(C(=O)NN)c1ncnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
BCAT2 O15382 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL30838560 0.77 NCF1 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6371765 0.75 PI4KA (0.52) LMNABCAT2ALDH1A1GALR3NR2F2
SCHEMBL28260795 0.71 PI4KA (0.47) LMNABCAT2GALR3NR2F2PI4KA
SCHEMBL21378747 0.70 CYP1A2 (0.55) LMNAALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL21378793 0.70 CYP1A2 (0.55) LMNAALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL15745601 0.70 CYP1A2 (0.55) LMNAALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL30838555 0.69 KDM4E (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20115779 0.68 PI4KA (0.44) LMNABCAT2ALDH1A1GALR3NR2F2
4-Aminoquinazoline SCHEMBL27977330 0.68 PI4KA (0.62) LMNABCAT2ALDH1A1GALR3NR2F2
SCHEMBL30838558 0.67 ALDH1A1 (0.51) LMNAALDH1A1RAB9ANPC1SMN1; SMN2

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