SCHEMBL8180403

SCHEMBL8180403

COc1ccc(CNc2nc(C3CCC(C(=O)O)CC3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.42
APP P05067 8/20 0.42
BCHE P06276 5/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
TNF P01375 1/20 0.37
NOD1 Q9Y239 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
SCHEMBL8181858 0.93 PDE5A (0.44)
Bicarbonate SCHEMBL7013300 0.91 ACHE (0.42) ACHEAPPBCHEALDH1A1LMNA
SCHEMBL8178313 0.88 ACHE (0.44) ACHEAPPBCHEMEN1KMT2A
SCHEMBL8179512 0.87 APP (0.44) ACHEAPPBCHELMNAMAPT
SCHEMBL8179646 0.86 PDE5A (0.44) ACHEALDH1A1LMNAMAPTMEN1
SCHEMBL8178519 0.86 PDE5A (0.45) ALDH1A1MAPTMEN1KMT2A
SCHEMBL8169908 0.86 PDE4B (0.38) ALDH1A1LMNA
SCHEMBL8180974 0.86 ACHE (0.43) ACHEAPPBCHEALDH1A1MEN1
SCHEMBL8171008 0.86 ATG4B (0.38) ALDH1A1
SCHEMBL8181251 0.86 PDE4A (0.46) ACHEAPPBCHEALDH1A1LMNA

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed