SCHEMBL25099331

SCHEMBL25099331

CNc1nnc2n1CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 5/20 0.42
HSD17B1 P14061 1/20 0.42
LMNA P02545 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
SCHEMBL11918822 0.74 POLB (1.00) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL15314289 0.74 POLB (1.00) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL12408155 0.71 POLB (0.96) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL27290865 0.69 POLB (0.59) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL27290941 0.69 POLB (0.59) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL14204046 0.69 POLB (0.59) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL11914610 0.69 POLB (0.58) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL14048244 0.69 POLB (0.58) POLBHPGDKDM4EMAPTL3MBTL1
SCHEMBL22485313 0.69 POLB (0.58) POLBHPGDALDH1A1HTTKDM4E
SCHEMBL22484889 0.69 POLB (0.58) POLBHPGDALDH1A1HTTKDM4E

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
WO-2023030478-A1 PYRIDOLACTAM DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-03-09 WO disclosed