SCHEMBL7694669

SCHEMBL7694669

Cc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
RAB9A P51151 5/20 0.65
PDGFRB P09619 1/20 0.65
KDR P35968 1/20 0.65
FLT3 P36888 1/20 0.65
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 3/20 0.50
TLR9 Q9NR96 1/20 0.49
BCHE P06276 1/20 0.49
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17656943 0.87 NPC1 (0.61) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL28555285 0.86 NPC1 (0.60) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL29184272 0.86 NPC1 (0.74) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL30846532 0.86 NPC1 (0.74) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL6215142 0.85 NPC1 (0.73) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL9453978 0.84 NPC1 (0.68) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL7697608 0.83 NPC1 (0.56) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL29184277 0.83 NPC1 (0.56) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL29184278 0.83 SMN1; SMN2 (0.56) NPC1SMN1; SMN2RAB9APDGFRBKDR
SCHEMBL30846533 0.83 SMN1; SMN2 (0.56) NPC1SMN1; SMN2RAB9APDGFRBKDR

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO claimed
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed