SCHEMBL7694572

SCHEMBL7694572

CC(C)(C)c1cc(Nc2nc3cc4ccccc4cc3nc2NCCC2=CCCCC2)n(-c2cccc(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MAPK14 Q16539 8/20 0.37
TP53 P04637 2/20 0.37
MAPK13 O15264 3/20 0.35
NTRK1 P04629 1/20 0.35
GALR3 O60755 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7700675 0.85 MAPK14 (0.43) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL7696568 0.83 MAPK14 (0.41) MAPTALDH1A1KDM4EHPGDMAPK14
SCHEMBL7697861 0.82 MAPK14 (0.47) MAPTTRPV1MAPK14MAPK13NTRK1
SCHEMBL7693923 0.82 MAPK14 (0.45) MAPK14MAPK13NTRK1JAK2MAPK12
SCHEMBL7697564 0.82 MAPK14 (0.41) MAPK14MAPK13NTRK1GAAJAK2
SCHEMBL7690441 0.78 MAPK14 (0.47) SMN1; SMN2TRPV1MAPK14MAPK13NTRK1
SCHEMBL7691122 0.77 MAPK14 (0.50) MAPTSMN1; SMN2LMNAHTTMAPK14
SCHEMBL7695893 0.77 SOD1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL7691048 0.76 MAPK14 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL7694525 0.76 MAPK14 (0.39) RAB9ANPC1TRPV1MAPK14MAPK13

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