SCHEMBL30464271

SCHEMBL30464271

CCCn1cc(C#N)c2cc(NC(=O)c3cnccn3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 16/20 0.68
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 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
SCHEMBL28577515 1.00 XDH (0.68) XDHGAATSHRKMT2ASMN1; SMN2
SCHEMBL28563940 0.88 XDH (0.65) XDH
SCHEMBL30464264 0.88 XDH (0.65) XDH
SCHEMBL28568422 0.87 XDH (0.66) XDH
SCHEMBL30464268 0.87 XDH (0.66) XDH
SCHEMBL28566556 0.86 XDH (0.69) XDHKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30464269 0.86 XDH (0.69) XDHKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30464260 0.85 XDH (0.68) XDHGAAKMT2ASMN1; SMN2NPSR1
SCHEMBL28568535 0.84 XDH (0.65) XDH
SCHEMBL28429322 0.84 XDH (0.72) XDH

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-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