SCHEMBL28443106

SCHEMBL28443106

FC(F)(F)c1ccc(N2Cc3ccccc3N3CCCCCC23)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CNR1 P21554 1/20 0.35
CTSS P25774 3/20 0.35
SLC6A2 P23975 1/20 0.34
F10 P00742 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSD P07339 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL28452179 0.96 KMT2A (0.37) MEN1KMT2AALDH1A1KDM4ECNR1
SCHEMBL28457314 0.81 GAA (0.41) MEN1KMT2AALDH1A1KDM4ESLC6A2
SCHEMBL28453362 0.81 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL28445944 0.79 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL28452276 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL28451755 0.79 MAPT (0.46) MEN1KMT2AALDH1A1KDM4ESLC6A2
SCHEMBL28898040 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL28451977 0.78 MAPT (0.47) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL28447937 0.75 AR (0.38) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL28453210 0.75 TSHR (0.43) MEN1KMT2AALDH1A1KDM4ESLC6A2

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-110156789-B Synthetic method of azacyclo-quinazoline compound 东华理工大学 2020-09-04 CN disclosed