SCHEMBL8950219

SCHEMBL8950219

COc1ccc(CN2C(CN3CCOCC3)=Cc3ccsc3S2(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
PDE1B Q01064 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
GALR3 O60755 1/20 0.38
CHKA P35790 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 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
SCHEMBL8950339 0.82 CA2 (0.41) SMN1; SMN2CA2CA4TSHRKMT2A
Hydrochloric Acid SCHEMBL8950235 0.80 CA2 (0.68) SMN1; SMN2CA2CA4TSHRHIF1A
SCHEMBL8950119 0.76 CMA1 (0.32) KDM4EKMT2AMAPTPDE1BMEN1
SCHEMBL5755331 0.72 SMN1; SMN2 (1.00) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL28455980 0.69 SMN1; SMN2 (0.90) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL28577542 0.67 SMN1; SMN2 (0.85) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL25045759 0.64 SMN1; SMN2 (0.68) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL28583600 0.63 SMN1; SMN2 (0.77) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL26098259 0.63 SMN1; SMN2 (0.76) SMN1; SMN2TSHRHIF1AEPAS1KDM4E
SCHEMBL8950201 0.63 HTT (0.43) SMN1; SMN2KMT2AMEN1

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-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed