SCHEMBL25948006

SCHEMBL25948006

CC(C=O)CNc1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PCSK9 Q8NBP7 3/20 0.37
FDPS P14324 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR2 O15552 1/20 0.34
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL19728843 0.80 ALDH1A1 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL11922543 0.77 ALDH1A1 (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5730870 0.74 ALDH1A1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL17353594 0.74 ALDH1A1 (0.52) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL19936087 0.72 ALDH1A1 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL17700184 0.69 ALDH1A1 (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL19736383 0.68 ALDH1A1 (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10129552 0.66 ALDH1A1 (0.44) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL18462183 0.65 ALDH1A1 (0.62) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10786351 0.65 ALDH1A1 (0.50) ALDH1A1MEN1NPC1RAB9AKMT2A

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-2023133271-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-07-13 WO disclosed