SCHEMBL8180396

SCHEMBL8180396

COc1ccc(CNc2nc(-c3ccc(C(=O)O)cc3)nc3sc(C(F)(F)F)cc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ACHE P22303 6/20 0.44
APP P05067 5/20 0.44
BCHE P06276 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL8169994 0.93 MEN1 (0.50) MEN1KMT2AACHEAPPBCHE
SCHEMBL8183537 0.92 PDE5A (0.45) MEN1KMT2A
SCHEMBL8179380 0.88 MEN1 (0.54) MEN1KMT2AACHEAPPBCHE
SCHEMBL8180525 0.87 MEN1 (0.56) MEN1KMT2AACHEAPPBCHE
SCHEMBL5118831 0.87 MEN1 (0.53) MEN1KMT2AACHEAPPBCHE
SCHEMBL8178327 0.86 MEN1 (0.55) MEN1KMT2AACHEAPPBCHE
SCHEMBL8178620 0.86 LMNA (0.47) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL8183034 0.85 PDE5A (0.45) MEN1KMT2A
SCHEMBL8183760 0.85 CYP1A2 (0.51) MEN1KMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL8183027 0.85 USP1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4

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