SCHEMBL30596268

SCHEMBL30596268

COc1cccc(-n2ncc3c(Cl)nc(Cl)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.48
MCHR1 Q99705 3/20 0.48
USP7 Q93009 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 3/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL30596266 0.83 PDE4D (0.49) NPBWR1MCHR1USP7SMN1; SMN2TSHR
SCHEMBL1355429 0.75 SMN1; SMN2 (0.51) NPBWR1MCHR1SMN1; SMN2TSHRHTT
SCHEMBL15622855 0.75 SMO (0.49) NPBWR1MCHR1USP7SMN1; SMN2TSHR
SCHEMBL839950 0.74 SLC2A1 (0.60) SMN1; SMN2HTTLMNACYP17A1CYP1A2
SCHEMBL304075 0.74 NR3C1 (0.50) NPBWR1MCHR1USP7SMN1; SMN2TSHR
SCHEMBL30639303 0.73 HTR3E (0.43) TSHRHTTLMNAMAPTNPC1
SCHEMBL29096496 0.73 HTR3E (0.43) TSHRHTTLMNAMAPTNPC1
SCHEMBL26525969 0.73 ALDH1A1 (0.48) NPBWR1MCHR1USP7SMN1; SMN2TSHR
SCHEMBL16014472 0.71 PDE1A (0.50) NPBWR1MCHR1SMN1; SMN2LMNAMAPT
SCHEMBL60445 0.71 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTTLMNACYP1A2

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