SCHEMBL30596266

SCHEMBL30596266

CCOc1nc(Cl)cc2c1cnn2-c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.49
PDE4B Q07343 1/20 0.47
NPBWR1 P48145 2/20 0.43
MCHR1 Q99705 1/20 0.43
USP7 Q93009 1/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMO Q99835 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NR3C1 P04150 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL30596268 0.83 NPBWR1 (0.48) NPBWR1MCHR1USP7TSHRHTT
SCHEMBL30596270 0.75 PDE4D (0.50) PDE4DPDE4BTSHRMAPTALDH1A1
SCHEMBL26525969 0.72 ALDH1A1 (0.48) NPBWR1MCHR1USP7TSHRHTT
SCHEMBL15622855 0.69 SMO (0.49) NPBWR1MCHR1USP7TSHRHTT
SCHEMBL30596265 0.69 PDE4D (0.71) PDE4DPDE4BSMN1; SMN2CYP1A2MEN1
SCHEMBL839950 0.69 SLC2A1 (0.60) HTTSMN1; SMN2CYP17A1CYP1A2MAPT
SCHEMBL304075 0.69 NR3C1 (0.50) NPBWR1MCHR1USP7TSHRHTT
SCHEMBL29638526 0.68 PLK1 (0.40) NPBWR1MCHR1TSHRHTTSMN1; SMN2
SCHEMBL30596261 0.68 PDE4D (0.59) PDE4DPDE4BPOLBLMNAKDM4E
SCHEMBL30596249 0.67 PDE4D (0.77) PDE4DPDE4BHPGDPOLBNPC1

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