SCHEMBL30596272

SCHEMBL30596272

CCOc1nc(Cl)cc2c1cnn2C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.59
PDE4B Q07343 2/20 0.59
KMO O15229 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 3/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL30596261 0.88 PDE4D (0.59) PDE4DPDE4BKMOKMT2AMEN1
SCHEMBL30596249 0.78 PDE4D (0.77) PDE4DPDE4BKMOKMT2AMEN1
SCHEMBL30596264 0.76 PDE4D (0.61) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL30596254 0.73 PDE4D (1.00) PDE4DPDE4BKMOKMT2AMEN1
SCHEMBL30596265 0.73 PDE4D (0.71) PDE4DPDE4BKMOKMT2AMEN1
SCHEMBL30596251 0.69 PDE4D (0.61) PDE4DPDE4BKMT2AMEN1ALDH1A1
SCHEMBL30596250 0.68 PDE4D (1.00) PDE4DPDE4BPDE1APDE1BPDE1C
SCHEMBL16965743 0.66 PDE4D (0.47) PDE4DPDE4BKMT2AALDH1A1KDM4E
SCHEMBL30596271 0.66 PDE4D (0.78) PDE4DPDE4BALDH1A1KDM4EGAA
SCHEMBL16505936 0.63 PDE1C (0.38) PDE4DKMOKMT2AKDM4EPDE1A

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
CN-116836162-A Pyrazolo [4,3-c ] pyridine compound or pharmaceutically acceptable salt thereof and application thereof 南方医科大学 2023-10-03 CN disclosed