SCHEMBL17609158

SCHEMBL17609158

O=[N+]([O-])c1cccc(/C=C/c2nc3c(Cc4ccccc4)cccc3[nH]2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ GAA P10253 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ RIPK1 Q13546 1/20 0.36
▸ MEN1 O00255 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ POLB P06746 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ PKN1 Q16512 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PTK2B Q14289 1/20 0.35

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
SCHEMBL6117500 1.00 RAB9A (0.43) RAB9ANPC1GAAMGAMSI
SCHEMBL6117491 0.84 RAB9A (0.51) RAB9ANPC1GAARIPK1MEN1
SCHEMBL17609165 0.83 RIPK1 (0.47) RAB9ANPC1GAARIPK1MEN1
SCHEMBL6116960 0.82 RAB9A (0.36) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL17609264 0.76 MAPT (0.40) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL9307952 0.69 NPC1 (0.46) RAB9ANPC1GAAMGAMSI
SCHEMBL6697342 0.66 DRD2 (0.50) GAAMEN1KMT2AALDH1A1
SCHEMBL18631860 0.66 CFTR (0.56) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL18631862 0.66 CFTR (0.56) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL8548085 0.66 GAA (0.55) RAB9ANPC1GAAMGAMSI

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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