SCHEMBL7699332

SCHEMBL7699332

c1ccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SORD Q00796 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49

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
SCHEMBL7697028 0.88 NPC1 (0.61) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7693429 0.83 HTR3A (0.74) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7697600 0.83 MAPT (0.74) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7694046 0.83 NPC1 (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7689945 0.80 MAPT (0.53) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10832734 0.80 HTR3A (0.69) MAPTRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12811964 0.79 BCHE (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7690144 0.78 NPC1 (0.77) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7697304 0.78 MAPT (0.77) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7698573 0.78 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2

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
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