SCHEMBL6663867

SCHEMBL6663867

Nc1cc(N)nc(N2CCN(C(=O)c3cccs3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
ALOX12 P18054 1/20 0.62
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL13149786 0.81 ALDH1A1 (1.00) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL11293119 0.80 GAA (0.85) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL6664861 0.78 ALDH1A1 (0.56) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL11739483 0.77 ADRA1A (0.67) ALDH1A1GAALMNAMAPTNPC1
SCHEMBL6712582 0.77 MAPT (1.00) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL10979081 0.75 GAA (0.72) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL9187774 0.75 GAA (0.72) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL10280045 0.74 GAA (0.74) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL6651783 0.73 ALDH1A1 (0.70) ALDH1A1GAALMNAMAPTALOX12
SCHEMBL6650909 0.73 ALDH1A1 (0.70) ALDH1A1GAALMNAMAPTALOX12

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-2004014376-A1 GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed