SCHEMBL29146243

SCHEMBL29146243

CC1CCN(c2nc(Cl)ccc2C(=O)O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
SLC6A12 P48065 1/20 0.37
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL17648603 0.78 CFTR (0.39) KMT2APOLBTDP1L3MBTL1GAA
SCHEMBL30106504 0.76 KDM5A (0.37) KMT2ASLC6A12POLBTDP1L3MBTL1
SCHEMBL29192765 0.76 NNMT (0.34) SMN1; SMN2HCRTR1HCRTR2
SCHEMBL29146765 0.76 CFTR (0.35)
SCHEMBL29146134 0.76 CFTR (0.38)
SCHEMBL29146242 0.74 CFTR (0.51) POLB
SCHEMBL22120568 0.71 KIF18A (0.41) KMT2APOLBTDP1L3MBTL1
SCHEMBL30881533 0.70 KMT2A (0.44) KMT2ASLC6A12MEN1SMN1; SMN2POLB
SCHEMBL17675111 0.69 KMT2A (0.46) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL25300913 0.69 CNR2 (0.45) KMT2AMEN1SMN1; SMN2POLBTDP1

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
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed