SCHEMBL28295217

SCHEMBL28295217

N#Cc1cccc2nc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CYP11B2 P19099 2/20 0.35
PNMT P11086 1/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 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
SCHEMBL17839436 0.78 HTT (0.43) HTTALDH1A1KDM4ECA1CA2
SCHEMBL3971916 0.78 ALDH1A1 (0.47) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2639975 0.78 HTT (0.43) HTTALDH1A1KDM4ECA1CA2
SCHEMBL11119057 0.78 HTT (0.43) HTTALDH1A1KDM4ECA1CA2
SCHEMBL14267908 0.78 BACE1 (0.55) HTTALDH1A1KDM4ECA1CA2
SCHEMBL30374767 0.78 HTT (0.43) HTTALDH1A1KDM4ECA1CA2
SCHEMBL6664318 0.74 ADORA2A (0.38) HTTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3967055 0.74 HTT (0.40) HTTALDH1A1KDM4ECA1CA2
SCHEMBL4725838 0.71 ALDH1A1 (0.50) HTTALDH1A1KDM4EGAALMNA
SCHEMBL29365630 0.70 ALDH1A1 (0.56) HTTALDH1A1KDM4ECA1CA2

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-109627212-B Diacid monomer and preparation method thereof, and polyamide and preparation method thereof 吉林大学 2020-03-10 CN disclosed
CN-109627212-A A kind of diacid monomer and preparation method thereof and polyamide and preparation method thereof 吉林大学 2019-04-16 CN disclosed