SCHEMBL7697028

SCHEMBL7697028

c1cnc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.61
▸ RAB9A P51151 7/20 0.61
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HRH4 Q9H3N8 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ HTR3A P46098 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SORD Q00796 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ BLM P54132 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
SCHEMBL7698573 0.89 MAPT (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7699332 0.88 MAPT (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7697600 0.83 MAPT (0.74) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7693429 0.83 HTR3A (0.74) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7694046 0.83 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7689945 0.80 MAPT (0.53) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10834346 0.80 HTR3A (0.69) NPC1RAB9AMAPTSMN1; SMN2HRH4
SCHEMBL7690144 0.78 NPC1 (0.77) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7697304 0.78 MAPT (0.77) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7695990 0.75 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1SMN1; 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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