Sugi Predict

Sugi Predict / Compounds / SCHEMBL8177873

SCHEMBL8177873

SCHEMBL8177873

CNc1ccc(NCc2csc(N3CCCCC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DNM1L O00429 17/20 0.44
▸ AR P10275 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL3053954 0.87 LMNA (0.44) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL4739101 0.86 MAOA (0.44) DNM1LARTP53ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL4739170 0.86 LMNA (0.43) DNM1LARTP53ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL3054076 0.86 LMNA (0.43) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL4735786 0.85 AR (0.43) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL7174448 0.80 SMN1; SMN2 (0.43) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL20548150 0.76 SMN1; SMN2 (0.45) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL17788448 0.75 SMN1; SMN2 (0.41) DNM1LARTP53ALOX15SMN1; SMN2
SCHEMBL3068986 0.74 AR (0.57) ARTP53SMN1; SMN2MAPT
SCHEMBL23563348 0.73 DNM1L (0.40) DNM1LARTP53ALOX15SMN1; 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-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
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