SCHEMBL7697802

SCHEMBL7697802

Oc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PDGFRB P09619 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
PIK3CG P48736 4/20 0.47
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL16968752 0.90 PIK3CG (0.51) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL7697102 0.87 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9APDGFRBGAA
SCHEMBL3024356 0.87 BCHE (0.67) BCHESMN1; SMN2NPC1RAB9APIK3CG
SCHEMBL30482895 0.84 NPC1 (0.61) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL2156854 0.84 NPC1 (0.61) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL15058886 0.81 NPC1 (0.54) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL17656943 0.81 NPC1 (0.61) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL28165461 0.81 BCHE (0.68) BCHESMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL15881515 0.80 ALDH1A1 (0.64) SMN1; SMN2PDGFRBGAAALDH1A1MAPT
SCHEMBL6215142 0.79 NPC1 (0.73) BCHESMN1; SMN2NPC1RAB9APDGFRB

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