SCHEMBL6769630

SCHEMBL6769630

S=C(NCc1ccco1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.64
ALDH1A1 P00352 10/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
HPGD P15428 5/20 0.62
MAPT P10636 5/20 0.62
HTT P42858 4/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GAA P10253 3/20 0.62
ALOX12 P18054 1/20 0.62
GPR174 Q9BXC1 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAOB P27338 3/20 0.59
MAOA P21397 2/20 0.59
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.55
BLM P54132 1/20 0.55
CA1 P00915 1/20 0.54

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
SCHEMBL3632497 0.80 QPCT (0.83) QPCTALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL26622950 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL31668680 0.77 MAOB (0.88) MAPTNPC1RAB9AMAOBMAOA
SCHEMBL5506600 0.76 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL5445694 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL22621288 0.75 GPR174 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL13805297 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL5610878 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL20774545 0.74 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL5448009 0.73 KMT2A (0.79) ALDH1A1SMN1; SMN2HPGDMAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US claimed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP claimed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO claimed
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US disclosed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed