SCHEMBL17609264

SCHEMBL17609264

Nc1ccc(Cl)c(/C=C/c2nc3c(Cc4ccccc4)cccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ GAA P10253 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ PKM P14618 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ NFKB1 P19838 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL537590 0.86 MAPT (0.39) MAPTGAAKDM4EPKMRAB9A
SCHEMBL17609165 0.84 RIPK1 (0.47) MAPTGAAKDM4EPKMTDP1
SCHEMBL18631865 0.83 RAB9A (0.41) MAPTGAAKDM4EPKMTDP1
SCHEMBL6116960 0.83 RAB9A (0.36) MAPTGAAKDM4EPKMTDP1
SCHEMBL17609266 0.77 NPC1 (0.65) MAPTGAAKDM4EPKMTDP1
SCHEMBL6117500 0.76 RAB9A (0.43) MAPTGAAKDM4EPKMRAB9A
SCHEMBL17609158 0.76 RAB9A (0.43) MAPTGAAKDM4EPKMRAB9A
SCHEMBL9307952 0.71 NPC1 (0.46) GAAKDM4ERAB9AALDH1A1NPC1
SCHEMBL5071826 0.71 PNP (0.52) GAAALDH1A1MEN1KMT2AMPO
SCHEMBL537589 0.70 RAB9A (0.41) MAPTGAAKDM4EPKMRAB9A

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-2016044636-A2 METHOD FOR PRODUCING BENZAZOLOQUINOLIUM (BQS) SALTS AND USING THE BIOLOGICAL ACTIVITY OF THE COMPOSITION SISTEMA UNIVERSITARIO ANA G. MENDEZ, INC. (US) 2016-03-24 — — WO disclosed
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