SCHEMBL7692865

SCHEMBL7692865

c1ccc2cc3nc(-c4ccsc4)c(-c4ccsc4)nc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
RPS6KB2 Q9UBS0 2/20 0.50
CYP2A6 P11509 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2B6 P20813 1/20 0.47
NPC1 O15118 1/20 0.45
NQO2 P16083 2/20 0.45
NPY5R Q15761 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7699647 0.87 RPS6KB2 (0.73) PDGFRBPDGFRARPS6KB2NPC1NPY5R
SCHEMBL7693473 0.75 SNCA (0.38) PDGFRBPDGFRARPS6KB2GPBAR1TDP1
SCHEMBL7693469 0.75 CA2 (0.36) PDGFRBPDGFRACYP2A6NPY5RGPBAR1
SCHEMBL7691149 0.74 KDM4E (0.62) RPS6KB2NPC1NQO2TDP1SMN1; SMN2
SCHEMBL15665538 0.74 HPGD (0.76) NPC1TDP1SMN1; SMN2KDM4ELMNA
SCHEMBL7693467 0.74 SNCA (0.38) PDGFRBPDGFRARPS6KB2GPBAR1TDP1
SCHEMBL14800061 0.72 PDGFRB (0.56) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL14211960 0.71 KDM4E (0.59) RPS6KB2NPC1NQO2TDP1SMN1; SMN2
SCHEMBL2869861 0.70 ADORA2A (0.41) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL7468435 0.70 NPC1 (0.67) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6

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