SCHEMBL8180899

SCHEMBL8180899

COc1ccc(CNc2nc(-c3ccc(C(=O)O)cc3)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.44
ACHE P22303 5/20 0.44
APP P05067 4/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PDE5A O76074 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
BCHE P06276 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL8185388 0.93 MEN1 (0.49) MEN1KMT2AMAPTACHEAPP
SCHEMBL8178577 0.93 PDE5A (0.47) MEN1KMT2APDE5A
SCHEMBL5124328 0.89 MEN1 (0.52) MEN1KMT2AMAPTACHEAPP
SCHEMBL8180525 0.87 MEN1 (0.56) MEN1KMT2AMAPTACHEAPP
SCHEMBL8178327 0.86 MEN1 (0.55) MEN1KMT2AMAPTACHEAPP
SCHEMBL8184140 0.86 PDE5A (0.47) MEN1KMT2AALDH1A1PDE5A
SCHEMBL8185246 0.86 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8182076 0.85 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8179380 0.85 MEN1 (0.54) MEN1KMT2AACHEAPPALDH1A1
SCHEMBL8179818 0.85 FYN (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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