SCHEMBL29037680

SCHEMBL29037680

CN1CCN(c2ccc(NC=O)cc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
AXL P30530 2/20 0.46
ALDH1A1 P00352 3/20 0.44
BRD4 O60885 3/20 0.42
FLT3 P36888 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 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
SCHEMBL29520120 1.00 KDM4E (0.60) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL29037795 0.87 KDM4E (0.48) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL29520312 0.87 KDM4E (0.48) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5743284 0.85 KDM4E (0.56) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL30447855 0.82 KDM4E (0.70) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14504072 0.82 KDM4E (0.56) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL29037742 0.82 CCNA2 (0.50) BRD4
SCHEMBL28717256 0.81 KDM4E (0.62) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL23444657 0.81 XDH (0.46) KDM4EL3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL29520446 0.80 KDM4E (0.41) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2

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-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed