SCHEMBL28568979

SCHEMBL28568979

N#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.64
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
KCNK3 O14649 1/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PFKFB2 O60825 1/20 0.48
PFKFB1 P16118 1/20 0.48
PFKFB3 Q16875 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL30464270 1.00 XDH (0.64) XDHALDH1A1MEN1KMT2APOLB
SCHEMBL28567262 0.90 XDH (0.66) XDHALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28432409 0.89 XDH (0.67) XDHALDH1A1MEN1KMT2APOLB
SCHEMBL28566556 0.87 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30464269 0.87 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28569043 0.86 XDH (0.68) XDHALDH1A1MEN1KMT2APOLB
SCHEMBL30464260 0.86 XDH (0.68) XDHALDH1A1MEN1KMT2APOLB
SCHEMBL30464267 0.84 XDH (0.73) XDH
SCHEMBL28572802 0.84 XDH (0.73) XDH
SCHEMBL28430809 0.84 XDH (0.65) XDHALDH1A1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920170-A N- (indole-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2021-06-08 CN claimed
CN-112920170-B N- (indol-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2023-06-20 CN disclosed
CN-112920170-A N- (indole-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2021-06-08 CN disclosed