SCHEMBL28720175

SCHEMBL28720175

c1cncc(CSc2nc3ccncc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
KMT2A Q03164 2/20 0.70
TP53 P04637 1/20 0.70
NPC1 O15118 6/20 0.69
PKM P14618 3/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
ALDH1A1 P00352 2/20 0.62
GFER P55789 2/20 0.55
HPGD P15428 3/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.54
NOS2 P35228 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
DAO P14920 1/20 0.50
PDE7A Q13946 1/20 0.50

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
SCHEMBL25319699 0.90 RAB9A (0.75) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL25318784 0.89 RAB9A (0.56) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28722332 0.87 SMN1; SMN2 (0.79) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28721668 0.83 RAB9A (1.00) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28720259 0.83 RAB9A (0.74) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28721670 0.82 RAB9A (1.00) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28722577 0.82 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28720172 0.82 RAB9A (0.76) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28938138 0.81 RAB9A (0.79) RAB9ASMN1; SMN2KMT2ATP53NPC1
SCHEMBL28721484 0.81 RAB9A (0.78) RAB9ASMN1; SMN2KMT2ATP53NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349758-B Compound with mother nucleus of pyridoimidazole as well as preparation method and application thereof 中国药科大学 2023-12-15 CN disclosed
CN-114349758-A Compound with pyridine imidazole as parent nucleus and preparation method and application thereof 中国药科大学 2022-04-15 CN disclosed