SCHEMBL7009702

SCHEMBL7009702

CC(CNC(=O)OCc1ccccc1)n1ncc2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
P2RX7 Q99572 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
CTSS P25774 3/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
HTR4 Q13639 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL7008755 0.90 CA1 (0.46) KMOHDAC8LMNAATMCTSS
SCHEMBL5796714 0.81 MAPK1 (0.38) LMNASMN1; SMN2ATMCTSSCTSL
SCHEMBL6255179 0.80 MAPK1 (0.38) LMNASMN1; SMN2ATMCTSSCTSL
SCHEMBL6257465 0.79 MAPK1 (0.39) LMNASMN1; SMN2ATMCTSSCTSL
SCHEMBL6252719 0.79 MAPK1 (0.39) LMNASMN1; SMN2ATMCTSSCTSL
SCHEMBL5050630 0.77 HTR2A (0.53) KMOP2RX7ATMHTR1AADRA2A
SCHEMBL5636335 0.77 HTR2A (0.53) KMOP2RX7ATMHTR1AADRA2A
SCHEMBL4845787 0.77 PREP (0.46) LMNAATMCTSSHTR1AADRA2A
SCHEMBL6254005 0.77 ATM (0.41) LMNASMN1; SMN2ATMCTSSHTR2A
SCHEMBL6250919 0.76 ATM (0.41) HDAC8LMNASMN1; SMN2ATMCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268438-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon, Inc (CH) 2003-01-02 EP disclosed
WO-2001070702-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed